Organic acids and derivatives
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Benzyl Laurate 98.0+%, TCI America™
CAS: 140-25-0 Molecular Formula: C19H30O2 Molecular Weight (g/mol): 290.447 MDL Number: MFCD00026558 InChI Key: QNRYOQRUGRVBRL-UHFFFAOYSA-N Synonym: Lauric Acid Benzyl Ester PubChem CID: 8791 IUPAC Name: benzyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OCC1=CC=CC=C1
| PubChem CID | 8791 |
|---|---|
| CAS | 140-25-0 |
| Molecular Weight (g/mol) | 290.447 |
| MDL Number | MFCD00026558 |
| SMILES | CCCCCCCCCCCC(=O)OCC1=CC=CC=C1 |
| Synonym | Lauric Acid Benzyl Ester |
| IUPAC Name | benzyl dodecanoate |
| InChI Key | QNRYOQRUGRVBRL-UHFFFAOYSA-N |
| Molecular Formula | C19H30O2 |
Thiomalic Acid 98.0+%, TCI America™
CAS: 70-49-5 Molecular Formula: C4H6O4S Molecular Weight (g/mol): 150.148 MDL Number: MFCD00004860 InChI Key: NJRXVEJTAYWCQJ-UHFFFAOYSA-N Synonym: mercaptosuccinic acid,thiomalic acid,2-thiomalic acid,2-mercaptosuccinic acid,monomercaptosuccinic acid,butanedioic acid, mercapto,malic acid, 2-thio,mercaptosuccinate,2-sulfanylsuccinic acid,dl-mercaptosuccinic acid PubChem CID: 6268 ChEBI: CHEBI:38705 IUPAC Name: 2-sulfanylbutanedioic acid SMILES: C(C(C(=O)O)S)C(=O)O
| PubChem CID | 6268 |
|---|---|
| CAS | 70-49-5 |
| Molecular Weight (g/mol) | 150.148 |
| ChEBI | CHEBI:38705 |
| MDL Number | MFCD00004860 |
| SMILES | C(C(C(=O)O)S)C(=O)O |
| Synonym | mercaptosuccinic acid,thiomalic acid,2-thiomalic acid,2-mercaptosuccinic acid,monomercaptosuccinic acid,butanedioic acid, mercapto,malic acid, 2-thio,mercaptosuccinate,2-sulfanylsuccinic acid,dl-mercaptosuccinic acid |
| IUPAC Name | 2-sulfanylbutanedioic acid |
| InChI Key | NJRXVEJTAYWCQJ-UHFFFAOYSA-N |
| Molecular Formula | C4H6O4S |
Isopropyl 2-Bromo-2-methylpropionate 97.0+%, TCI America™
CAS: 51368-55-9 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.08 MDL Number: MFCD00055235 InChI Key: UNZJYKKJZGIFCG-UHFFFAOYSA-N Synonym: isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester PubChem CID: 2796293 IUPAC Name: propan-2-yl 2-bromo-2-methylpropanoate SMILES: CC(C)OC(=O)C(C)(C)Br
| PubChem CID | 2796293 |
|---|---|
| CAS | 51368-55-9 |
| Molecular Weight (g/mol) | 209.08 |
| MDL Number | MFCD00055235 |
| SMILES | CC(C)OC(=O)C(C)(C)Br |
| Synonym | isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester |
| IUPAC Name | propan-2-yl 2-bromo-2-methylpropanoate |
| InChI Key | UNZJYKKJZGIFCG-UHFFFAOYSA-N |
| Molecular Formula | C7H13BrO2 |
1,1,1,3,3,3-Hexafluoroisopropyl Acrylate (stabilized with TBC) 98.0+%, TCI America™
CAS: 2160-89-6 Molecular Formula: C6H4F6O2 Molecular Weight (g/mol): 222.09 MDL Number: MFCD00040104 InChI Key: MNSWITGNWZSAMC-UHFFFAOYSA-N Synonym: 1,1,1,3,3,3-hexafluoroisopropyl acrylate,hexafluoroisopropyl acrylate,1,1,1,3,3,3-hexafluoropropan-2-yl acrylate,2-propenoic acid, 2,2,2-trifluoro-1-trifluoromethyl ethyl ester,acrylic acid 1,1,1,3,3,3-hexafluoroisopropyl ester,hexafluoro-2-propyl acrylate,mnswitgnwzsamc-uhfffaoysa,1h-1-trifluoromethyl trifluoroethyl acrylate PubChem CID: 75096 IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl prop-2-enoate SMILES: FC(F)(F)C(OC(=O)C=C)C(F)(F)F
| PubChem CID | 75096 |
|---|---|
| CAS | 2160-89-6 |
| Molecular Weight (g/mol) | 222.09 |
| MDL Number | MFCD00040104 |
| SMILES | FC(F)(F)C(OC(=O)C=C)C(F)(F)F |
| Synonym | 1,1,1,3,3,3-hexafluoroisopropyl acrylate,hexafluoroisopropyl acrylate,1,1,1,3,3,3-hexafluoropropan-2-yl acrylate,2-propenoic acid, 2,2,2-trifluoro-1-trifluoromethyl ethyl ester,acrylic acid 1,1,1,3,3,3-hexafluoroisopropyl ester,hexafluoro-2-propyl acrylate,mnswitgnwzsamc-uhfffaoysa,1h-1-trifluoromethyl trifluoroethyl acrylate |
| IUPAC Name | 1,1,1,3,3,3-hexafluoropropan-2-yl prop-2-enoate |
| InChI Key | MNSWITGNWZSAMC-UHFFFAOYSA-N |
| Molecular Formula | C6H4F6O2 |
Ethyl N-Phenylformimidate 98.0+%, TCI America™
CAS: 6780-49-0 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00043655 InChI Key: DRDBNKYFCOLNQO-UHFFFAOYSA-N Synonym: ethyl n-phenylformimidate,ethyl isoformanilide,n-ethoxymethyleneaniline,methanimidic acid, n-phenyl-, ethyl ester,ethyl phenylimidoformate,n-ethoxymethylene aniline,ethyl n-phenylcarboximidate,ethylisoformanilide,e-ethyl n-phenylcarboximidate,ethyl iso-formanilide PubChem CID: 111236 IUPAC Name: ethyl N-phenylcarboximidate SMILES: CCOC=NC1=CC=CC=C1
| PubChem CID | 111236 |
|---|---|
| CAS | 6780-49-0 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00043655 |
| SMILES | CCOC=NC1=CC=CC=C1 |
| Synonym | ethyl n-phenylformimidate,ethyl isoformanilide,n-ethoxymethyleneaniline,methanimidic acid, n-phenyl-, ethyl ester,ethyl phenylimidoformate,n-ethoxymethylene aniline,ethyl n-phenylcarboximidate,ethylisoformanilide,e-ethyl n-phenylcarboximidate,ethyl iso-formanilide |
| IUPAC Name | ethyl N-phenylcarboximidate |
| InChI Key | DRDBNKYFCOLNQO-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium Hexafluorophosphate 98.0+%, TCI America™
CAS: 333717-40-1 Molecular Formula: C10H17F6N4O3P Molecular Weight (g/mol): 386.235 MDL Number: MFCD01862832 InChI Key: RKTBAMPZUATMIO-JCTPKUEWSA-N Synonym: HOTU PubChem CID: 57416861 IUPAC Name: [[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate SMILES: CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N.F[P-](F)(F)(F)(F)F
| PubChem CID | 57416861 |
|---|---|
| CAS | 333717-40-1 |
| Molecular Weight (g/mol) | 386.235 |
| MDL Number | MFCD01862832 |
| SMILES | CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N.F[P-](F)(F)(F)(F)F |
| Synonym | HOTU |
| IUPAC Name | [[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate |
| InChI Key | RKTBAMPZUATMIO-JCTPKUEWSA-N |
| Molecular Formula | C10H17F6N4O3P |
1-(2-Bromoisovaleryl)urea 98.0+%, TCI America™
CAS: 496-67-3 Molecular Formula: C6H11BrN2O2 Molecular Weight (g/mol): 223.07 InChI Key: CMCCHHWTTBEZNM-UHFFFAOYSA-N Synonym: bromisoval,bromisovalum,bromovalerylurea,bromvalerylurea,bromural,bromcarbamide,bromizoval,bromocarbamide,bromaral,bromisovalerylurea PubChem CID: 2447 ChEBI: CHEBI:77043 IUPAC Name: 2-bromo-N-carbamoyl-3-methylbutanamide SMILES: CC(C)C(C(=O)NC(=O)N)Br
| PubChem CID | 2447 |
|---|---|
| CAS | 496-67-3 |
| Molecular Weight (g/mol) | 223.07 |
| ChEBI | CHEBI:77043 |
| SMILES | CC(C)C(C(=O)NC(=O)N)Br |
| Synonym | bromisoval,bromisovalum,bromovalerylurea,bromvalerylurea,bromural,bromcarbamide,bromizoval,bromocarbamide,bromaral,bromisovalerylurea |
| IUPAC Name | 2-bromo-N-carbamoyl-3-methylbutanamide |
| InChI Key | CMCCHHWTTBEZNM-UHFFFAOYSA-N |
| Molecular Formula | C6H11BrN2O2 |
Methyl Benzimidate Hydrochloride 98.0+%, TCI America™
CAS: 5873-90-5 Molecular Formula: C8H10ClNO Molecular Weight (g/mol): 171.624 MDL Number: MFCD00012575 InChI Key: HDJNHVNQRJMWSH-UHFFFAOYSA-N Synonym: methyl benzimidate hydrochloride,methyl benzimidate hcl,methyl benzenecarboximidoate hydrochloride,benzimidic acid methyl ester hydrochloride,methyl benzenecarboximidate hydrochloride,benzenecarboximidic acid methyl ester hydrochloride,benzinidic acid methyl ester hydrochloride,benzenecarboximidic acid, methyl ester, hydrochloride,methoxyphenylmethanimine, chloride,acmc-1axhh PubChem CID: 5743287 IUPAC Name: methyl benzenecarboximidate;hydrochloride SMILES: COC(=N)C1=CC=CC=C1.Cl
| PubChem CID | 5743287 |
|---|---|
| CAS | 5873-90-5 |
| Molecular Weight (g/mol) | 171.624 |
| MDL Number | MFCD00012575 |
| SMILES | COC(=N)C1=CC=CC=C1.Cl |
| Synonym | methyl benzimidate hydrochloride,methyl benzimidate hcl,methyl benzenecarboximidoate hydrochloride,benzimidic acid methyl ester hydrochloride,methyl benzenecarboximidate hydrochloride,benzenecarboximidic acid methyl ester hydrochloride,benzinidic acid methyl ester hydrochloride,benzenecarboximidic acid, methyl ester, hydrochloride,methoxyphenylmethanimine, chloride,acmc-1axhh |
| IUPAC Name | methyl benzenecarboximidate;hydrochloride |
| InChI Key | HDJNHVNQRJMWSH-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO |
Ethyl Carbamate 98.0+%, TCI America™
CAS: 51-79-6 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.094 MDL Number: MFCD00007966 InChI Key: JOYRKODLDBILNP-UHFFFAOYSA-N Synonym: urethane,urethan,ethylurethane,carbamic acid ethyl ester,ethyl urethane,carbamic acid, ethyl ester,ethylcarbamate,pracarbamine,leucethane,pracarbamin PubChem CID: 5641 ChEBI: CHEBI:17967 IUPAC Name: ethyl carbamate SMILES: CCOC(=O)N
| PubChem CID | 5641 |
|---|---|
| CAS | 51-79-6 |
| Molecular Weight (g/mol) | 89.094 |
| ChEBI | CHEBI:17967 |
| MDL Number | MFCD00007966 |
| SMILES | CCOC(=O)N |
| Synonym | urethane,urethan,ethylurethane,carbamic acid ethyl ester,ethyl urethane,carbamic acid, ethyl ester,ethylcarbamate,pracarbamine,leucethane,pracarbamin |
| IUPAC Name | ethyl carbamate |
| InChI Key | JOYRKODLDBILNP-UHFFFAOYSA-N |
| Molecular Formula | C3H7NO2 |
Disodium Phenyl Phosphate Hydrate 98.0+%, TCI America™
CAS: 3279-54-7 Molecular Formula: C6H5Na2O4P Molecular Weight (g/mol): 218.06 MDL Number: MFCD00002133 InChI Key: TYJOJLOWRIQYQM-UHFFFAOYSA-L Synonym: disodium phenyl phosphate,phenyl phosphate disodium salt,disodium phenylphosphate,phenyldisodium phosphate,phosphoric acid, monophenyl ester, disodium salt,phenyl disodium orthophosphate,phenyl phosphate,phosphoric acid, monophenyl ester, sodium salt 1:2,disodium phenyl phosphate dihydrate,phenyl phosphate disodium salt dihydrate PubChem CID: 76771 IUPAC Name: disodium phenyl phosphate SMILES: [Na+].[Na+].[O-]P([O-])(=O)OC1=CC=CC=C1
| PubChem CID | 76771 |
|---|---|
| CAS | 3279-54-7 |
| Molecular Weight (g/mol) | 218.06 |
| MDL Number | MFCD00002133 |
| SMILES | [Na+].[Na+].[O-]P([O-])(=O)OC1=CC=CC=C1 |
| Synonym | disodium phenyl phosphate,phenyl phosphate disodium salt,disodium phenylphosphate,phenyldisodium phosphate,phosphoric acid, monophenyl ester, disodium salt,phenyl disodium orthophosphate,phenyl phosphate,phosphoric acid, monophenyl ester, sodium salt 1:2,disodium phenyl phosphate dihydrate,phenyl phosphate disodium salt dihydrate |
| IUPAC Name | disodium phenyl phosphate |
| InChI Key | TYJOJLOWRIQYQM-UHFFFAOYSA-L |
| Molecular Formula | C6H5Na2O4P |
2'-Deoxycytidine 5'-Monophosphate Hydrate 98.0+%, TCI America™
CAS: 1032-65-1 Molecular Formula: C9H14N3O7P Molecular Weight (g/mol): 307.199 InChI Key: NCMVOABPESMRCP-SHYZEUOFSA-N Synonym: dcmp,deoxycytidylic acid,deoxycytidine monophosphate,2'-deoxycytidine-5'-monophosphate,2'-deoxycytidine-5'-monophosphoric acid,5'-cytidylic acid, 2'-deoxy,2'-deoxycytidine 5'-monophosphate,deoxycytidylate,polydeoxycytidylic acid,deoxycytidine-5'-monophosphoric acid PubChem CID: 13945 ChEBI: CHEBI:15918 IUPAC Name: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
| PubChem CID | 13945 |
|---|---|
| CAS | 1032-65-1 |
| Molecular Weight (g/mol) | 307.199 |
| ChEBI | CHEBI:15918 |
| SMILES | C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O |
| Synonym | dcmp,deoxycytidylic acid,deoxycytidine monophosphate,2'-deoxycytidine-5'-monophosphate,2'-deoxycytidine-5'-monophosphoric acid,5'-cytidylic acid, 2'-deoxy,2'-deoxycytidine 5'-monophosphate,deoxycytidylate,polydeoxycytidylic acid,deoxycytidine-5'-monophosphoric acid |
| IUPAC Name | [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| InChI Key | NCMVOABPESMRCP-SHYZEUOFSA-N |
| Molecular Formula | C9H14N3O7P |
5'-Adenylic Acid 98.0+%, TCI America™
CAS: 61-19-8 Molecular Formula: C10H14N5O7P Molecular Weight (g/mol): 347.22 MDL Number: MFCD00005750 InChI Key: UDMBCSSLTHHNCD-YPLCUDRINA-N Synonym: adenosine 5'-monophosphate,5'-adenylic acid,adenosine monophosphate,adenosine phosphate,adenylic acid,adenylate,phosphaden,5'-amp,adenosine 5'-phosphate,phosphentaside PubChem CID: 6083 ChEBI: CHEBI:16027 IUPAC Name: {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid SMILES: NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
| PubChem CID | 6083 |
|---|---|
| CAS | 61-19-8 |
| Molecular Weight (g/mol) | 347.22 |
| ChEBI | CHEBI:16027 |
| MDL Number | MFCD00005750 |
| SMILES | NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 |
| Synonym | adenosine 5'-monophosphate,5'-adenylic acid,adenosine monophosphate,adenosine phosphate,adenylic acid,adenylate,phosphaden,5'-amp,adenosine 5'-phosphate,phosphentaside |
| IUPAC Name | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid |
| InChI Key | UDMBCSSLTHHNCD-YPLCUDRINA-N |
| Molecular Formula | C10H14N5O7P |
Tributyl(ethyl)phosphonium Diethyl Phosphate 96.0+%, TCI America™
CAS: 20445-94-7 Molecular Formula: C18H42O4P2 Molecular Weight (g/mol): 384.478 MDL Number: MFCD17018975 InChI Key: RDCTYOLAEUHRGG-UHFFFAOYSA-M PubChem CID: 60196373 IUPAC Name: diethyl phosphate;tributyl(ethyl)phosphanium SMILES: CCCC[P+](CC)(CCCC)CCCC.CCOP(=O)([O-])OCC
| PubChem CID | 60196373 |
|---|---|
| CAS | 20445-94-7 |
| Molecular Weight (g/mol) | 384.478 |
| MDL Number | MFCD17018975 |
| SMILES | CCCC[P+](CC)(CCCC)CCCC.CCOP(=O)([O-])OCC |
| IUPAC Name | diethyl phosphate;tributyl(ethyl)phosphanium |
| InChI Key | RDCTYOLAEUHRGG-UHFFFAOYSA-M |
| Molecular Formula | C18H42O4P2 |
Butyl Thioglycolate 98.0+%, TCI America™
CAS: 10047-28-6 Molecular Formula: C6H12O2S Molecular Weight (g/mol): 148.22 MDL Number: MFCD00022087 InChI Key: SKGVGRLWZVRZDC-UHFFFAOYSA-N Synonym: Thioglycolic Acid Butyl Ester, Mercaptoacetic Acid Butyl Ester, Butyl Mercaptoacetate PubChem CID: 82321 IUPAC Name: butyl 2-sulfanylacetate SMILES: CCCCOC(=O)CS
| PubChem CID | 82321 |
|---|---|
| CAS | 10047-28-6 |
| Molecular Weight (g/mol) | 148.22 |
| MDL Number | MFCD00022087 |
| SMILES | CCCCOC(=O)CS |
| Synonym | Thioglycolic Acid Butyl Ester, Mercaptoacetic Acid Butyl Ester, Butyl Mercaptoacetate |
| IUPAC Name | butyl 2-sulfanylacetate |
| InChI Key | SKGVGRLWZVRZDC-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2S |
Diethyl L-(+)-Tartrate 98.0+%, TCI America™
CAS: 87-91-2 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.19 MDL Number: MFCD00009143 InChI Key: YSAVZVORKRDODB-UHFFFAOYNA-N Synonym: diethyl l-+-tartrate,2r,3r-diethyl 2,3-dihydroxysuccinate,l +-diethyl l-tartrate,+-diethyl l-tartrate,diethyl l-tartrate,diethyl-l-tartrate,unii-oq72cpy58z,l-+-tartaric acid diethyl ester,diethyl l-tartarate,tartaric acid, diethyl ester, r,r PubChem CID: 6993580 IUPAC Name: 1,4-diethyl 2,3-dihydroxybutanedioate SMILES: CCOC(=O)C(O)C(O)C(=O)OCC
| PubChem CID | 6993580 |
|---|---|
| CAS | 87-91-2 |
| Molecular Weight (g/mol) | 206.19 |
| MDL Number | MFCD00009143 |
| SMILES | CCOC(=O)C(O)C(O)C(=O)OCC |
| Synonym | diethyl l-+-tartrate,2r,3r-diethyl 2,3-dihydroxysuccinate,l +-diethyl l-tartrate,+-diethyl l-tartrate,diethyl l-tartrate,diethyl-l-tartrate,unii-oq72cpy58z,l-+-tartaric acid diethyl ester,diethyl l-tartarate,tartaric acid, diethyl ester, r,r |
| IUPAC Name | 1,4-diethyl 2,3-dihydroxybutanedioate |
| InChI Key | YSAVZVORKRDODB-UHFFFAOYNA-N |
| Molecular Formula | C8H14O6 |