Organic acids and derivatives
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Sodium diphenylamine-4-sulfonate, ACS
CAS: 6152-67-6 Molecular Formula: C12H11NNaO3S Molecular Weight (g/mol): 272.27 MDL Number: MFCD00036468 InChI Key: VMVSDVIYIMNZBS-UHFFFAOYSA-N Synonym: sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt PubChem CID: 517002 IUPAC Name: sodium;4-anilinobenzenesulfonate SMILES: [Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 517002 |
|---|---|
| CAS | 6152-67-6 |
| Molecular Weight (g/mol) | 272.27 |
| MDL Number | MFCD00036468 |
| SMILES | [Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1 |
| Synonym | sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt |
| IUPAC Name | sodium;4-anilinobenzenesulfonate |
| InChI Key | VMVSDVIYIMNZBS-UHFFFAOYSA-N |
| Molecular Formula | C12H11NNaO3S |
Triethylenetetramine-N,N,N',N″,N‴,N‴-hexaacetic acid, 98%
CAS: 869-52-3 Molecular Formula: C18H30N4O12 Molecular Weight (g/mol): 494.454 MDL Number: MFCD00004290 InChI Key: RAEOEMDZDMCHJA-UHFFFAOYSA-N Synonym: ttha,hexaacetic acid,triethylenetetraminehexaacetate,3,6,9,12-tetraazatetradecanedioic acid, 3,6,9,12-tetrakis carboxymethyl,triethylenetetranitrilohexaacetic acid,triethylenetetramine-n,n,n',n,n',n'-hexaacetic acid,triethylenetetramine-n,n,n',n',n,n-hexaacetic acid,triethylenetetramine-n,n,n',n,n',3,6,9,12-tetrakis carboxymethyl-3,6,9,12-tetraazatetradecanedioic acid,3,6,9,12-tetrakis carboxymethyl-3,6,9,12-tetraazatetradecane-1,14-dioic acid PubChem CID: 70088 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
| PubChem CID | 70088 |
|---|---|
| CAS | 869-52-3 |
| Molecular Weight (g/mol) | 494.454 |
| MDL Number | MFCD00004290 |
| SMILES | C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
| Synonym | ttha,hexaacetic acid,triethylenetetraminehexaacetate,3,6,9,12-tetraazatetradecanedioic acid, 3,6,9,12-tetrakis carboxymethyl,triethylenetetranitrilohexaacetic acid,triethylenetetramine-n,n,n',n,n',n'-hexaacetic acid,triethylenetetramine-n,n,n',n',n,n-hexaacetic acid,triethylenetetramine-n,n,n',n,n',3,6,9,12-tetrakis carboxymethyl-3,6,9,12-tetraazatetradecanedioic acid,3,6,9,12-tetrakis carboxymethyl-3,6,9,12-tetraazatetradecane-1,14-dioic acid |
| IUPAC Name | 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid |
| InChI Key | RAEOEMDZDMCHJA-UHFFFAOYSA-N |
| Molecular Formula | C18H30N4O12 |
S-Methylisothiouronium sulfate, 98+%
CAS: 867-44-7 Molecular Formula: C4H14N4O4S3 Molecular Weight (g/mol): 278.36 MDL Number: MFCD00013055 InChI Key: BZZXQZOBAUXLHZ-UHFFFAOYSA-N Synonym: s-methylisothiourea hemisulfate,2-methyl-2-thiopseudourea hemisulfate,carbamimidothioic acid, methyl ester, sulfate 2:1,s-methylisothiourea sulfate 2:1,s-methylthiouronium sulfate 2:1,bis 2-methylisothiouronium sulphate,methyl carbamimidothioate sulfate 2:1,methylcarbamimidothioate sulfate 2:1,s-methylisothiourea, sulfate,2-methyl-2-thiopseudourea sulfate 2:1 PubChem CID: 13347 IUPAC Name: methyl carbamimidothioate;sulfuric acid SMILES: CSC(=N)N.CSC(=N)N.OS(=O)(=O)O
| PubChem CID | 13347 |
|---|---|
| CAS | 867-44-7 |
| Molecular Weight (g/mol) | 278.36 |
| MDL Number | MFCD00013055 |
| SMILES | CSC(=N)N.CSC(=N)N.OS(=O)(=O)O |
| Synonym | s-methylisothiourea hemisulfate,2-methyl-2-thiopseudourea hemisulfate,carbamimidothioic acid, methyl ester, sulfate 2:1,s-methylisothiourea sulfate 2:1,s-methylthiouronium sulfate 2:1,bis 2-methylisothiouronium sulphate,methyl carbamimidothioate sulfate 2:1,methylcarbamimidothioate sulfate 2:1,s-methylisothiourea, sulfate,2-methyl-2-thiopseudourea sulfate 2:1 |
| IUPAC Name | methyl carbamimidothioate;sulfuric acid |
| InChI Key | BZZXQZOBAUXLHZ-UHFFFAOYSA-N |
| Molecular Formula | C4H14N4O4S3 |
Ethyl carbamate, 98%
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 |
N,N-Dimethylacrylamide, 98%, stab. with 100ppm 4-methoxyph enol
CAS: 2680-03-7 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.13 MDL Number: MFCD00008626 InChI Key: YLGYACDQVQQZSW-UHFFFAOYSA-N Synonym: n,n-dimethylacrylamide,2-propenamide, n,n-dimethyl,acrylamide, n,n-dimethyl,acylamide, n,n-dimethyl,n,n-dimethyl-acrylamide,n,n-dimethyl-2-propenamide,dimethylamid kyseliny akrylove,nn-dimethylacrylamide,unii-as46jk7q6i,propenamide, n,n-dimethyl PubChem CID: 17587 IUPAC Name: N,N-dimethylprop-2-enamide SMILES: CN(C)C(=O)C=C
| PubChem CID | 17587 |
|---|---|
| CAS | 2680-03-7 |
| Molecular Weight (g/mol) | 99.13 |
| MDL Number | MFCD00008626 |
| SMILES | CN(C)C(=O)C=C |
| Synonym | n,n-dimethylacrylamide,2-propenamide, n,n-dimethyl,acrylamide, n,n-dimethyl,acylamide, n,n-dimethyl,n,n-dimethyl-acrylamide,n,n-dimethyl-2-propenamide,dimethylamid kyseliny akrylove,nn-dimethylacrylamide,unii-as46jk7q6i,propenamide, n,n-dimethyl |
| IUPAC Name | N,N-dimethylprop-2-enamide |
| InChI Key | YLGYACDQVQQZSW-UHFFFAOYSA-N |
| Molecular Formula | C5H9NO |
Chlorodifluoroacetic anhydride, 98+%
CAS: 2834-23-3 Molecular Formula: C4Cl2F4O3 Molecular Weight (g/mol): 242.93 MDL Number: MFCD00000774 InChI Key: VBJIFLOSOQGDRZ-UHFFFAOYSA-N Synonym: chlorodifluoroacetic anhydride,acetic acid, chlorodifluoro-, anhydride,acetic acid, 2-chloro-2,2-difluoro-, 1,1'-anhydride,chlorodifluoroacetic anhyride,chlorodifluoroacetic acid anhydride,2-chloro-2,2-difluoroacetic anhydride,2-chloro-2,2-difluoroacetyl 2-chloro-2,2-difluoroacetate PubChem CID: 76074 IUPAC Name: (2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate SMILES: FC(F)(Cl)C(=O)OC(=O)C(F)(F)Cl
| PubChem CID | 76074 |
|---|---|
| CAS | 2834-23-3 |
| Molecular Weight (g/mol) | 242.93 |
| MDL Number | MFCD00000774 |
| SMILES | FC(F)(Cl)C(=O)OC(=O)C(F)(F)Cl |
| Synonym | chlorodifluoroacetic anhydride,acetic acid, chlorodifluoro-, anhydride,acetic acid, 2-chloro-2,2-difluoro-, 1,1'-anhydride,chlorodifluoroacetic anhyride,chlorodifluoroacetic acid anhydride,2-chloro-2,2-difluoroacetic anhydride,2-chloro-2,2-difluoroacetyl 2-chloro-2,2-difluoroacetate |
| IUPAC Name | (2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate |
| InChI Key | VBJIFLOSOQGDRZ-UHFFFAOYSA-N |
| Molecular Formula | C4Cl2F4O3 |
N-Methylformanilide, 99%
CAS: 93-61-8 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.166 MDL Number: MFCD00003283 InChI Key: JIKUXBYRTXDNIY-UHFFFAOYSA-N Synonym: n-methylformanilide,formamide, n-methyl-n-phenyl,n-formyl-n-methylaniline,formanilide, n-methyl,methylphenylformamide,n-phenyl-n-methylformamide,n-methyl-n-formylaniline,n-methylformanilid,methyl phenyl formamide,n-methyl-n-phenyl-formamide PubChem CID: 66737 IUPAC Name: N-methyl-N-phenylformamide SMILES: CN(C=O)C1=CC=CC=C1
| PubChem CID | 66737 |
|---|---|
| CAS | 93-61-8 |
| Molecular Weight (g/mol) | 135.166 |
| MDL Number | MFCD00003283 |
| SMILES | CN(C=O)C1=CC=CC=C1 |
| Synonym | n-methylformanilide,formamide, n-methyl-n-phenyl,n-formyl-n-methylaniline,formanilide, n-methyl,methylphenylformamide,n-phenyl-n-methylformamide,n-methyl-n-formylaniline,n-methylformanilid,methyl phenyl formamide,n-methyl-n-phenyl-formamide |
| IUPAC Name | N-methyl-N-phenylformamide |
| InChI Key | JIKUXBYRTXDNIY-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
2-Iodoacetamide, 98%, stab. with ca 5-8% water
CAS: 144-48-9 Molecular Formula: C2H4INO Molecular Weight (g/mol): 184.964 MDL Number: MFCD00008028 InChI Key: PGLTVOMIXTUURA-UHFFFAOYSA-N Synonym: iodoacetamide,monoiodoacetamide,surauto,acetamide, 2-iodo,2-iodo-acetamide,usaf d-1,alpha-iodoacetamide,ccris 7710,unii-zrh8m27s79,n-3-methoxy-4-butoxybenzyl thiobarbituric acid PubChem CID: 3727 IUPAC Name: 2-iodoacetamide SMILES: C(C(=O)N)I
| PubChem CID | 3727 |
|---|---|
| CAS | 144-48-9 |
| Molecular Weight (g/mol) | 184.964 |
| MDL Number | MFCD00008028 |
| SMILES | C(C(=O)N)I |
| Synonym | iodoacetamide,monoiodoacetamide,surauto,acetamide, 2-iodo,2-iodo-acetamide,usaf d-1,alpha-iodoacetamide,ccris 7710,unii-zrh8m27s79,n-3-methoxy-4-butoxybenzyl thiobarbituric acid |
| IUPAC Name | 2-iodoacetamide |
| InChI Key | PGLTVOMIXTUURA-UHFFFAOYSA-N |
| Molecular Formula | C2H4INO |
Ethyl heptanoate, 98+%
CAS: 106-30-9 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00009538 InChI Key: TVQGDYNRXLTQAP-UHFFFAOYSA-N Synonym: ethyl enanthate,oenanthic ether,wine oil,ethyl heptylate,grape oil,ethyl heptoate,heptanoic acid, ethyl ester,cognac oil,enanthylic ether,ethyl oenanthate PubChem CID: 7797 ChEBI: CHEBI:86618 IUPAC Name: ethyl heptanoate SMILES: CCCCCCC(=O)OCC
| PubChem CID | 7797 |
|---|---|
| CAS | 106-30-9 |
| Molecular Weight (g/mol) | 158.24 |
| ChEBI | CHEBI:86618 |
| MDL Number | MFCD00009538 |
| SMILES | CCCCCCC(=O)OCC |
| Synonym | ethyl enanthate,oenanthic ether,wine oil,ethyl heptylate,grape oil,ethyl heptoate,heptanoic acid, ethyl ester,cognac oil,enanthylic ether,ethyl oenanthate |
| IUPAC Name | ethyl heptanoate |
| InChI Key | TVQGDYNRXLTQAP-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
Antimony(III) acetate, 97%
CAS: 6923-52-0 Molecular Formula: C6H9O6Sb Molecular Weight (g/mol): 298.892 MDL Number: MFCD00014974 InChI Key: JVLRYPRBKSMEBF-UHFFFAOYSA-K Synonym: antimony triacetate,antimony iii acetate,antimony acetate,acetic acid, antimony 3+ salt,octan antimonity czech,antimony 3+ triacetate,acetic acid, antimony 3+ salt 3:1,acetic acid, trianhydride with antimonic acid h3sbo3,acetic acid, antimony salt,octan antimonity PubChem CID: 23354 IUPAC Name: antimony(3+);triacetate SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sb+3]
| PubChem CID | 23354 |
|---|---|
| CAS | 6923-52-0 |
| Molecular Weight (g/mol) | 298.892 |
| MDL Number | MFCD00014974 |
| SMILES | CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sb+3] |
| Synonym | antimony triacetate,antimony iii acetate,antimony acetate,acetic acid, antimony 3+ salt,octan antimonity czech,antimony 3+ triacetate,acetic acid, antimony 3+ salt 3:1,acetic acid, trianhydride with antimonic acid h3sbo3,acetic acid, antimony salt,octan antimonity |
| IUPAC Name | antimony(3+);triacetate |
| InChI Key | JVLRYPRBKSMEBF-UHFFFAOYSA-K |
| Molecular Formula | C6H9O6Sb |
Diethyl dibromomalonate, 96%
CAS: 631-22-1 Molecular Formula: C7H10Br2O4 Molecular Weight (g/mol): 317.96 MDL Number: MFCD00015154 InChI Key: PFZYFZRUPFUEOB-UHFFFAOYSA-N PubChem CID: 69427 IUPAC Name: diethyl 2,2-dibromopropanedioate SMILES: CCOC(=O)C(Br)(Br)C(=O)OCC
| PubChem CID | 69427 |
|---|---|
| CAS | 631-22-1 |
| Molecular Weight (g/mol) | 317.96 |
| MDL Number | MFCD00015154 |
| SMILES | CCOC(=O)C(Br)(Br)C(=O)OCC |
| IUPAC Name | diethyl 2,2-dibromopropanedioate |
| InChI Key | PFZYFZRUPFUEOB-UHFFFAOYSA-N |
| Molecular Formula | C7H10Br2O4 |
Benzanilide, 98+%
CAS: 93-98-1 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.237 MDL Number: MFCD00003069 InChI Key: ZVSKZLHKADLHSD-UHFFFAOYSA-N Synonym: benzanilide,n-benzoylaniline,benzamide, n-phenyl,n-phenyl-benzamide,benzoic acid anilide,unii-ak1b12366o,phenyl-n-benzamide,benzanilid,benzoylanilide,n-benzoyl aniline PubChem CID: 7168 IUPAC Name: N-phenylbenzamide SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2
| PubChem CID | 7168 |
|---|---|
| CAS | 93-98-1 |
| Molecular Weight (g/mol) | 197.237 |
| MDL Number | MFCD00003069 |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2 |
| Synonym | benzanilide,n-benzoylaniline,benzamide, n-phenyl,n-phenyl-benzamide,benzoic acid anilide,unii-ak1b12366o,phenyl-n-benzamide,benzanilid,benzoylanilide,n-benzoyl aniline |
| IUPAC Name | N-phenylbenzamide |
| InChI Key | ZVSKZLHKADLHSD-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO |
2-Naphthylacetic acid, 99%
CAS: 581-96-4 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004126 InChI Key: VIBOGIYPPWLDTI-UHFFFAOYSA-N Synonym: 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid PubChem CID: 11393 ChEBI: CHEBI:37837 IUPAC Name: 2-naphthalen-2-ylacetic acid SMILES: OC(=O)CC1=CC=C2C=CC=CC2=C1
| PubChem CID | 11393 |
|---|---|
| CAS | 581-96-4 |
| Molecular Weight (g/mol) | 186.21 |
| ChEBI | CHEBI:37837 |
| MDL Number | MFCD00004126 |
| SMILES | OC(=O)CC1=CC=C2C=CC=CC2=C1 |
| Synonym | 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid |
| IUPAC Name | 2-naphthalen-2-ylacetic acid |
| InChI Key | VIBOGIYPPWLDTI-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
Ethyl 3-phenylpropionate, 98+%
CAS: 2021-28-5 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009206 InChI Key: JAGZUIGGHGTFHO-UHFFFAOYSA-N Synonym: ethyl 3-phenylpropionate,ethyl hydrocinnamate,ethyl dihydrocinnamate,benzenepropanoic acid, ethyl ester,3-phenylpropionic acid ethyl ester,hydrocinnamic acid, ethyl ester,ethylhydrocinnamoate,ethyl benzenepropanoate,unii-58e9z9v64d,ethylphenyl propanoate PubChem CID: 16237 IUPAC Name: ethyl 3-phenylpropanoate SMILES: CCOC(=O)CCC1=CC=CC=C1
| PubChem CID | 16237 |
|---|---|
| CAS | 2021-28-5 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00009206 |
| SMILES | CCOC(=O)CCC1=CC=CC=C1 |
| Synonym | ethyl 3-phenylpropionate,ethyl hydrocinnamate,ethyl dihydrocinnamate,benzenepropanoic acid, ethyl ester,3-phenylpropionic acid ethyl ester,hydrocinnamic acid, ethyl ester,ethylhydrocinnamoate,ethyl benzenepropanoate,unii-58e9z9v64d,ethylphenyl propanoate |
| IUPAC Name | ethyl 3-phenylpropanoate |
| InChI Key | JAGZUIGGHGTFHO-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
Cyanoacetamide, 99%
CAS: 107-91-5 Molecular Formula: C3H4N2O Molecular Weight (g/mol): 84.08 MDL Number: MFCD00008024 InChI Key: DGJMPUGMZIKDRO-UHFFFAOYSA-N Synonym: cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 PubChem CID: 7898 IUPAC Name: 2-cyanoacetamide SMILES: NC(=O)CC#N
| PubChem CID | 7898 |
|---|---|
| CAS | 107-91-5 |
| Molecular Weight (g/mol) | 84.08 |
| MDL Number | MFCD00008024 |
| SMILES | NC(=O)CC#N |
| Synonym | cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 |
| IUPAC Name | 2-cyanoacetamide |
| InChI Key | DGJMPUGMZIKDRO-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2O |