
Carboxylic acids and derivatives















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Methyl acetate, 99+%, Extra Dry, AcroSeal™
CAS: 79-20-9 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 MDL Number: MFCD00008711 InChI Key: KXKVLQRXCPHEJC-UHFFFAOYSA-N Synonym: tereton,devoton,acetic acid, methyl ester,methyl ethanoate,acetic acid methyl ester,methylacetat,acetate de methyle,methylacetaat,methyl acetic ester,octan metylu PubChem CID: 6584 ChEBI: CHEBI:77700 IUPAC Name: methyl acetate SMILES: CC(=O)OC
PubChem CID | 6584 |
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CAS | 79-20-9 |
Molecular Weight (g/mol) | 74.08 |
ChEBI | CHEBI:77700 |
MDL Number | MFCD00008711 |
SMILES | CC(=O)OC |
Synonym | tereton,devoton,acetic acid, methyl ester,methyl ethanoate,acetic acid methyl ester,methylacetat,acetate de methyle,methylacetaat,methyl acetic ester,octan metylu |
IUPAC Name | methyl acetate |
InChI Key | KXKVLQRXCPHEJC-UHFFFAOYSA-N |
Molecular Formula | C3H6O2 |
Trifluoroacetic anhydride, 99+%
CAS: 407-25-0 Molecular Formula: C4F6O3 Molecular Weight (g/mol): 210.03 MDL Number: MFCD00000416 InChI Key: QAEDZJGFFMLHHQ-UHFFFAOYSA-N Synonym: trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove PubChem CID: 9845 IUPAC Name: (2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate SMILES: FC(F)(F)C(=O)OC(=O)C(F)(F)F
PubChem CID | 9845 |
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CAS | 407-25-0 |
Molecular Weight (g/mol) | 210.03 |
MDL Number | MFCD00000416 |
SMILES | FC(F)(F)C(=O)OC(=O)C(F)(F)F |
Synonym | trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove |
IUPAC Name | (2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate |
InChI Key | QAEDZJGFFMLHHQ-UHFFFAOYSA-N |
Molecular Formula | C4F6O3 |
Isopentyl acetate, 99%, cont. ca 10% other isomers
CAS: 123-92-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00008946 InChI Key: MLFHJEHSLIIPHL-UHFFFAOYSA-N Synonym: isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate PubChem CID: 31276 ChEBI: CHEBI:31725 IUPAC Name: 3-methylbutyl acetate SMILES: CC(C)CCOC(C)=O
PubChem CID | 31276 |
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CAS | 123-92-2 |
Molecular Weight (g/mol) | 130.19 |
ChEBI | CHEBI:31725 |
MDL Number | MFCD00008946 |
SMILES | CC(C)CCOC(C)=O |
Synonym | isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate |
IUPAC Name | 3-methylbutyl acetate |
InChI Key | MLFHJEHSLIIPHL-UHFFFAOYSA-N |
Molecular Formula | C7H14O2 |
Sodium succinate hexahydrate
CAS: 6106-21-4 Molecular Formula: C4H16Na2O10 Molecular Weight (g/mol): 270.142 MDL Number: MFCD00149117 InChI Key: ZBTUYCUNQBRXOR-UHFFFAOYSA-L Synonym: disodium succinate hexahydrate,sodium succinate hexahydrate,unii-u16qod6c4e,butanedioic acid, disodium salt, hexahydrate,disodium butanedioate hexahydrate,u16qod6c4e,disodium hexahydrate succinate,sodium succinate dibasic hexahydrate,butanedioic acid disodium salt,succinic acid disodium salt hexahydrate PubChem CID: 3083938 ChEBI: CHEBI:63686 IUPAC Name: disodium;butanedioate;hexahydrate SMILES: C(CC(=O)[O-])C(=O)[O-].O.O.O.O.O.O.[Na+].[Na+]
PubChem CID | 3083938 |
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CAS | 6106-21-4 |
Molecular Weight (g/mol) | 270.142 |
ChEBI | CHEBI:63686 |
MDL Number | MFCD00149117 |
SMILES | C(CC(=O)[O-])C(=O)[O-].O.O.O.O.O.O.[Na+].[Na+] |
Synonym | disodium succinate hexahydrate,sodium succinate hexahydrate,unii-u16qod6c4e,butanedioic acid, disodium salt, hexahydrate,disodium butanedioate hexahydrate,u16qod6c4e,disodium hexahydrate succinate,sodium succinate dibasic hexahydrate,butanedioic acid disodium salt,succinic acid disodium salt hexahydrate |
IUPAC Name | disodium;butanedioate;hexahydrate |
InChI Key | ZBTUYCUNQBRXOR-UHFFFAOYSA-L |
Molecular Formula | C4H16Na2O10 |
Methyl chloroacetate, 99+%
CAS: 96-34-4 Molecular Formula: C3H5ClO2 Molecular Weight (g/mol): 108.521 MDL Number: MFCD00000931 InChI Key: QABLOFMHHSOFRJ-UHFFFAOYSA-N Synonym: methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749 PubChem CID: 7295 IUPAC Name: methyl 2-chloroacetate SMILES: COC(=O)CCl
PubChem CID | 7295 |
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CAS | 96-34-4 |
Molecular Weight (g/mol) | 108.521 |
MDL Number | MFCD00000931 |
SMILES | COC(=O)CCl |
Synonym | methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749 |
IUPAC Name | methyl 2-chloroacetate |
InChI Key | QABLOFMHHSOFRJ-UHFFFAOYSA-N |
Molecular Formula | C3H5ClO2 |
Hexyl acetate, 99%
CAS: 142-92-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 InChI Key: AOGQPLXWSUTHQB-UHFFFAOYSA-N Synonym: n-hexyl acetate,1-hexyl acetate,hexyl ethanoate,acetic acid hexyl ester,n-hexyl ethanoate,acetic acid, hexyl ester,hexyl alcohol, acetate,l-hexyl acetate,fema no. 2565,natural PubChem CID: 8908 ChEBI: CHEBI:87510 IUPAC Name: hexyl acetate SMILES: CCCCCCOC(=O)C
PubChem CID | 8908 |
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CAS | 142-92-7 |
Molecular Weight (g/mol) | 144.21 |
ChEBI | CHEBI:87510 |
SMILES | CCCCCCOC(=O)C |
Synonym | n-hexyl acetate,1-hexyl acetate,hexyl ethanoate,acetic acid hexyl ester,n-hexyl ethanoate,acetic acid, hexyl ester,hexyl alcohol, acetate,l-hexyl acetate,fema no. 2565,natural |
IUPAC Name | hexyl acetate |
InChI Key | AOGQPLXWSUTHQB-UHFFFAOYSA-N |
Molecular Formula | C8H16O2 |
1,3,5-Benzenetricarboxylic acid, 98%
CAS: 554-95-0 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.14 MDL Number: MFCD00002517 InChI Key: QMKYBPDZANOJGF-UHFFFAOYSA-N Synonym: trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 PubChem CID: 11138 ChEBI: CHEBI:46032 IUPAC Name: benzene-1,3,5-tricarboxylic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
PubChem CID | 11138 |
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CAS | 554-95-0 |
Molecular Weight (g/mol) | 210.14 |
ChEBI | CHEBI:46032 |
MDL Number | MFCD00002517 |
SMILES | OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O |
Synonym | trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 |
IUPAC Name | benzene-1,3,5-tricarboxylic acid |
InChI Key | QMKYBPDZANOJGF-UHFFFAOYSA-N |
Molecular Formula | C9H6O6 |
1,3-Dichloro-5,5-dimethylhydantoin, 98%
CAS: 118-52-5 Molecular Formula: C5H6Cl2N2O2 Molecular Weight (g/mol): 197.015 MDL Number: MFCD00003190 InChI Key: KEQGZUUPPQEDPF-UHFFFAOYSA-N Synonym: 1,3-dichloro-5,5-dimethylhydantoin,dantoin,dactin,daktin,dichlorantin,omchlor,halane,hydan,hydantoin, dichlorodimethyl,hydan antiseptic PubChem CID: 8360 IUPAC Name: 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C(=O)N(C(=O)N1Cl)Cl)C
PubChem CID | 8360 |
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CAS | 118-52-5 |
Molecular Weight (g/mol) | 197.015 |
MDL Number | MFCD00003190 |
SMILES | CC1(C(=O)N(C(=O)N1Cl)Cl)C |
Synonym | 1,3-dichloro-5,5-dimethylhydantoin,dantoin,dactin,daktin,dichlorantin,omchlor,halane,hydan,hydantoin, dichlorodimethyl,hydan antiseptic |
IUPAC Name | 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione |
InChI Key | KEQGZUUPPQEDPF-UHFFFAOYSA-N |
Molecular Formula | C5H6Cl2N2O2 |
n-Hexyl methacrylate, 97%, stab. with 100ppm 4-methoxyphenol
CAS: 142-09-6 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00015283 InChI Key: LNCPIMCVTKXXOY-UHFFFAOYSA-N Synonym: hexyl methacrylate,n-hexyl methacrylate,hexyl 2-methyl-2-propenoate,methacrylic acid, hexyl ester,2-propenoic acid, 2-methyl-, hexyl ester,unii-538b2q3hsv,ccris 4824,hexyl 2-methylacrylate,methacrylic acid hexyl ester,dsstox_cid_5406 PubChem CID: 8872 IUPAC Name: hexyl 2-methylprop-2-enoate SMILES: CCCCCCOC(=O)C(C)=C
PubChem CID | 8872 |
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CAS | 142-09-6 |
Molecular Weight (g/mol) | 170.25 |
MDL Number | MFCD00015283 |
SMILES | CCCCCCOC(=O)C(C)=C |
Synonym | hexyl methacrylate,n-hexyl methacrylate,hexyl 2-methyl-2-propenoate,methacrylic acid, hexyl ester,2-propenoic acid, 2-methyl-, hexyl ester,unii-538b2q3hsv,ccris 4824,hexyl 2-methylacrylate,methacrylic acid hexyl ester,dsstox_cid_5406 |
IUPAC Name | hexyl 2-methylprop-2-enoate |
InChI Key | LNCPIMCVTKXXOY-UHFFFAOYSA-N |
Molecular Formula | C10H18O2 |
Citric acid monohydrate, technical, crystalline
CAS: 5949-29-1 Molecular Formula: C6H8O7·H2O Molecular Weight (g/mol): 210.15 InChI Key: YASYEJJMZJALEJ-UHFFFAOYSA-N Synonym: citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp PubChem CID: 22230 ChEBI: CHEBI:31404 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
PubChem CID | 22230 |
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CAS | 5949-29-1 |
Molecular Weight (g/mol) | 210.15 |
ChEBI | CHEBI:31404 |
SMILES | C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O |
Synonym | citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp |
IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate |
InChI Key | YASYEJJMZJALEJ-UHFFFAOYSA-N |
Molecular Formula | C6H8O7·H2O |
Tri-n-butyl citrate, 99%
CAS: 77-94-1 Molecular Formula: C18H32O7 Molecular Weight (g/mol): 360.45 MDL Number: MFCD00027217 InChI Key: ZFOZVQLOBQUTQQ-UHFFFAOYSA-N Synonym: tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester PubChem CID: 6507 IUPAC Name: tributyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
PubChem CID | 6507 |
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CAS | 77-94-1 |
Molecular Weight (g/mol) | 360.45 |
MDL Number | MFCD00027217 |
SMILES | CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC |
Synonym | tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester |
IUPAC Name | tributyl 2-hydroxypropane-1,2,3-tricarboxylate |
InChI Key | ZFOZVQLOBQUTQQ-UHFFFAOYSA-N |
Molecular Formula | C18H32O7 |
Ethylene glycol dimethacrylate, 98%, stab. with 100ppm 4-methoxyphenol
CAS: 97-90-5 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00008590 InChI Key: STVZJERGLQHEKB-UHFFFAOYSA-N Synonym: ethylene glycol dimethacrylate,ethylene dimethacrylate,glycol dimethacrylate,diglycol dimethacrylate,ethanediol dimethacrylate,ethylenedimethyacrylate,ethylene methacrylate,ethyldiol metacrylate,1,2-bis methacryloyloxy ethane,ethylene glycol bis methacrylate PubChem CID: 7355 ChEBI: CHEBI:53436 IUPAC Name: 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCCOC(=O)C(C)=C
PubChem CID | 7355 |
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CAS | 97-90-5 |
Molecular Weight (g/mol) | 198.22 |
ChEBI | CHEBI:53436 |
MDL Number | MFCD00008590 |
SMILES | CC(=C)C(=O)OCCOC(=O)C(C)=C |
Synonym | ethylene glycol dimethacrylate,ethylene dimethacrylate,glycol dimethacrylate,diglycol dimethacrylate,ethanediol dimethacrylate,ethylenedimethyacrylate,ethylene methacrylate,ethyldiol metacrylate,1,2-bis methacryloyloxy ethane,ethylene glycol bis methacrylate |
IUPAC Name | 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate |
InChI Key | STVZJERGLQHEKB-UHFFFAOYSA-N |
Molecular Formula | C10H14O4 |
3-(Trimethylsilyl)propionic acid-d4 sodium salt, 98 atom% D
CAS: 24493-21-8 Molecular Formula: C6H9D4NaO2Si Molecular Weight (g/mol): 172.27 InChI Key: OIIWPAYIXDCDNL-HGFPCDIYSA-M Synonym: sodium 3-trimethylsilyl 2,2,3,3-2h4 propionate,3-trimethylsilyl propionic acid-d4 sodium salt,2,2,3,3-d4-3-trimethylsilyl propionic acid sodium salt,sodium 3-trimethylsilyl 2 h? propanoate,sodium 3-trimethylsilyl 2h4 propanoate,tsp-d4,propanoic-2,2,3,3-d4 acid, 3-trimethylsilyl-, sodium salt,sodium 3-trimethylsilyl propionate-2,2,3,3-d4,3-trimethylsilyl propionic-2,2,3,3-d4 acid sodium salt,sodium-3-trimethylsilyl-2,2,3,3-tetradeuteriopropionate PubChem CID: 23688921 IUPAC Name: sodium;2,2,3,3-tetradeuterio-3-trimethylsilylpropanoate SMILES: C[Si](C)(C)CCC(=O)[O-].[Na+]
PubChem CID | 23688921 |
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CAS | 24493-21-8 |
Molecular Weight (g/mol) | 172.27 |
SMILES | C[Si](C)(C)CCC(=O)[O-].[Na+] |
Synonym | sodium 3-trimethylsilyl 2,2,3,3-2h4 propionate,3-trimethylsilyl propionic acid-d4 sodium salt,2,2,3,3-d4-3-trimethylsilyl propionic acid sodium salt,sodium 3-trimethylsilyl 2 h? propanoate,sodium 3-trimethylsilyl 2h4 propanoate,tsp-d4,propanoic-2,2,3,3-d4 acid, 3-trimethylsilyl-, sodium salt,sodium 3-trimethylsilyl propionate-2,2,3,3-d4,3-trimethylsilyl propionic-2,2,3,3-d4 acid sodium salt,sodium-3-trimethylsilyl-2,2,3,3-tetradeuteriopropionate |
IUPAC Name | sodium;2,2,3,3-tetradeuterio-3-trimethylsilylpropanoate |
InChI Key | OIIWPAYIXDCDNL-HGFPCDIYSA-M |
Molecular Formula | C6H9D4NaO2Si |
trans-1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid monohydrate, ACS, 97.5%-100.5%
CAS: 125572-95-4 Molecular Formula: C14H20N2O8 Molecular Weight (g/mol): 344.32 MDL Number: MFCD00149243,MFCD00066429,MFCD00003845 InChI Key: FCKYPQBAHLOOJQ-NXEZZACHSA-L Synonym: 2,2',2,2'-trans-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,dcyta,trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic acid monohydrate,1,2-cyclohexanedinitrilotetraacetic acid,2,2',2,2'-1r,2r-rel-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,trans-1,2-cyclohexanediaminetetraacetic acid monohydrate,cdta monohydrate,ctda monohydrate,chel-cd,chel r-cd PubChem CID: 2723844 IUPAC Name: 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate SMILES: [O-]C(=O)C[NH+](CC([O-])=O)[C@@H]1CCCC[C@H]1[NH+](CC([O-])=O)CC([O-])=O
PubChem CID | 2723844 |
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CAS | 125572-95-4 |
Molecular Weight (g/mol) | 344.32 |
MDL Number | MFCD00149243,MFCD00066429,MFCD00003845 |
SMILES | [O-]C(=O)C[NH+](CC([O-])=O)[C@@H]1CCCC[C@H]1[NH+](CC([O-])=O)CC([O-])=O |
Synonym | 2,2',2,2'-trans-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,dcyta,trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic acid monohydrate,1,2-cyclohexanedinitrilotetraacetic acid,2,2',2,2'-1r,2r-rel-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,trans-1,2-cyclohexanediaminetetraacetic acid monohydrate,cdta monohydrate,ctda monohydrate,chel-cd,chel r-cd |
IUPAC Name | 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate |
InChI Key | FCKYPQBAHLOOJQ-NXEZZACHSA-L |
Molecular Formula | C14H20N2O8 |
N,N-Dimethylacetamide, 99.5%, Extra Dry over Molecular Sieve, AcroSeal™
CAS: 127-19-5 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.12 MDL Number: MFCD00008686 InChI Key: FXHOOIRPVKKKFG-UHFFFAOYSA-N Synonym: dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine PubChem CID: 31374 ChEBI: CHEBI:84254 IUPAC Name: N,N-dimethylacetamide SMILES: CN(C)C(C)=O
PubChem CID | 31374 |
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CAS | 127-19-5 |
Molecular Weight (g/mol) | 87.12 |
ChEBI | CHEBI:84254 |
MDL Number | MFCD00008686 |
SMILES | CN(C)C(C)=O |
Synonym | dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine |
IUPAC Name | N,N-dimethylacetamide |
InChI Key | FXHOOIRPVKKKFG-UHFFFAOYSA-N |
Molecular Formula | C4H9NO |