Organic acids and derivatives
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1,2-Diaminopropane-N,N,N',N'-tetraacetic Acid 98.0+%, TCI America™
CAS: 4408-81-5 Molecular Formula: C11H18N2O8 Molecular Weight (g/mol): 306.271 MDL Number: MFCD00004286 InChI Key: XNCSCQSQSGDGES-UHFFFAOYSA-N Synonym: pdta,1,2-diaminopropane-n,n,n',n'-tetraacetic acid,medta,1,2-diaminopropanetetraacetic acid,propylenediamine tetra-acetic acid,propanoldiaminetetracetic acid,acetic acid, propylenedinitrilo tetra,ccris 1250,1,2-propylenediamine tetraacetic acid,propane-1,2-dinitrilotetraacetic acid PubChem CID: 20442 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid SMILES: CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
| PubChem CID | 20442 |
|---|---|
| CAS | 4408-81-5 |
| Molecular Weight (g/mol) | 306.271 |
| MDL Number | MFCD00004286 |
| SMILES | CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
| Synonym | pdta,1,2-diaminopropane-n,n,n',n'-tetraacetic acid,medta,1,2-diaminopropanetetraacetic acid,propylenediamine tetra-acetic acid,propanoldiaminetetracetic acid,acetic acid, propylenedinitrilo tetra,ccris 1250,1,2-propylenediamine tetraacetic acid,propane-1,2-dinitrilotetraacetic acid |
| IUPAC Name | 2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid |
| InChI Key | XNCSCQSQSGDGES-UHFFFAOYSA-N |
| Molecular Formula | C11H18N2O8 |
3-(Carboxymethyl)-1,2,4-cyclopentanetricarboxylic Acid 1,4:2,3-Dianhydride 97.0+%, TCI America™
CAS: 6053-46-9 Molecular Formula: C10H8O6 Molecular Weight (g/mol): 224.168 MDL Number: MFCD22373052 InChI Key: QVEIRZNRYOJFCL-UHFFFAOYSA-N PubChem CID: 22239650 SMILES: C1C2C3CC(=O)OC(=O)C3C1C(=O)OC2=O
| PubChem CID | 22239650 |
|---|---|
| CAS | 6053-46-9 |
| Molecular Weight (g/mol) | 224.168 |
| MDL Number | MFCD22373052 |
| SMILES | C1C2C3CC(=O)OC(=O)C3C1C(=O)OC2=O |
| InChI Key | QVEIRZNRYOJFCL-UHFFFAOYSA-N |
| Molecular Formula | C10H8O6 |
meso-Butane-1,2,3,4-tetracarboxylic Acid 98.0+%, TCI America™
CAS: 4534-68-3 Molecular Formula: C8H10O8 Molecular Weight (g/mol): 234.16 MDL Number: MFCD00070496 InChI Key: GGAUUQHSCNMCAU-ZXZARUISSA-N PubChem CID: 6992626 IUPAC Name: (2S,3R)-butane-1,2,3,4-tetracarboxylic acid SMILES: C(C(C(CC(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 6992626 |
|---|---|
| CAS | 4534-68-3 |
| Molecular Weight (g/mol) | 234.16 |
| MDL Number | MFCD00070496 |
| SMILES | C(C(C(CC(=O)O)C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | (2S,3R)-butane-1,2,3,4-tetracarboxylic acid |
| InChI Key | GGAUUQHSCNMCAU-ZXZARUISSA-N |
| Molecular Formula | C8H10O8 |
1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic Acid 90.0+%, TCI America™
CAS: 85233-19-8 Molecular Formula: C22H24N2O10 Molecular Weight (g/mol): 476.44 MDL Number: MFCD00036255 InChI Key: FTEDXVNDVHYDQW-UHFFFAOYSA-N Synonym: bapta,bapeta,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,ca ii-bapta,1,2-bis-2-aminophenoxy ethane n,n,n',n'-tetraacetic acid,unii-k22ddw77c0,1,2-bis o-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,bapta tetrasodium salt hydrate,glycine, n,n'-1,2-ethanediylbis oxy-2,1-phenylene bis n-carboxymethyl,2,2',2,2'-ethane-1,2-diylbis oxy-2,1-phenylenenitrilo tetraacetic acid PubChem CID: 104751 ChEBI: CHEBI:60888 IUPAC Name: 2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid SMILES: OC(=O)CN(CC(O)=O)C1=CC=CC=C1OCCOC1=CC=CC=C1N(CC(O)=O)CC(O)=O
| PubChem CID | 104751 |
|---|---|
| CAS | 85233-19-8 |
| Molecular Weight (g/mol) | 476.44 |
| ChEBI | CHEBI:60888 |
| MDL Number | MFCD00036255 |
| SMILES | OC(=O)CN(CC(O)=O)C1=CC=CC=C1OCCOC1=CC=CC=C1N(CC(O)=O)CC(O)=O |
| Synonym | bapta,bapeta,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,ca ii-bapta,1,2-bis-2-aminophenoxy ethane n,n,n',n'-tetraacetic acid,unii-k22ddw77c0,1,2-bis o-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,bapta tetrasodium salt hydrate,glycine, n,n'-1,2-ethanediylbis oxy-2,1-phenylene bis n-carboxymethyl,2,2',2,2'-ethane-1,2-diylbis oxy-2,1-phenylenenitrilo tetraacetic acid |
| IUPAC Name | 2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid |
| InChI Key | FTEDXVNDVHYDQW-UHFFFAOYSA-N |
| Molecular Formula | C22H24N2O10 |
1,2,3,4-Cyclobutanetetracarboxylic Acid 98.0+%, TCI America™
CAS: 53159-92-5 Molecular Formula: C8H8O8 Molecular Weight (g/mol): 232.144 MDL Number: MFCD00013270 InChI Key: CURBACXRQKTCKZ-UHFFFAOYSA-N PubChem CID: 266034 IUPAC Name: cyclobutane-1,2,3,4-tetracarboxylic acid SMILES: C1(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 266034 |
|---|---|
| CAS | 53159-92-5 |
| Molecular Weight (g/mol) | 232.144 |
| MDL Number | MFCD00013270 |
| SMILES | C1(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | cyclobutane-1,2,3,4-tetracarboxylic acid |
| InChI Key | CURBACXRQKTCKZ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O8 |
Tetrahydrofuran-2,3,4,5-tetracarboxylic Acid 98.0+%, TCI America™
CAS: 26106-63-8 Molecular Formula: C8H8O9 Molecular Weight (g/mol): 248.14 MDL Number: MFCD00005364 InChI Key: UFOIOXZLTXNHQH-UHFFFAOYNA-N Synonym: tetrahydrofuran-2,3,4,5-tetracarboxylic acid,tetrahydrofuran-2,3,4,5-tetracarboxylicacid,acmc-209goc,2,5-anhydro-3,4-dicarboxy-3,4-dideoxyhexaric acid,tetrahydrofuran-2,3,4,5-tetracarboxylic acid, mixed isomers,tetrahydro-2,3,4,5-furantetracarboxylic acid,2,3,4,5-furantetracarboxylicacid, tetrahydro PubChem CID: 97421 IUPAC Name: oxolane-2,3,4,5-tetracarboxylic acid SMILES: OC(=O)C1OC(C(C1C(O)=O)C(O)=O)C(O)=O
| PubChem CID | 97421 |
|---|---|
| CAS | 26106-63-8 |
| Molecular Weight (g/mol) | 248.14 |
| MDL Number | MFCD00005364 |
| SMILES | OC(=O)C1OC(C(C1C(O)=O)C(O)=O)C(O)=O |
| Synonym | tetrahydrofuran-2,3,4,5-tetracarboxylic acid,tetrahydrofuran-2,3,4,5-tetracarboxylicacid,acmc-209goc,2,5-anhydro-3,4-dicarboxy-3,4-dideoxyhexaric acid,tetrahydrofuran-2,3,4,5-tetracarboxylic acid, mixed isomers,tetrahydro-2,3,4,5-furantetracarboxylic acid,2,3,4,5-furantetracarboxylicacid, tetrahydro |
| IUPAC Name | oxolane-2,3,4,5-tetracarboxylic acid |
| InChI Key | UFOIOXZLTXNHQH-UHFFFAOYNA-N |
| Molecular Formula | C8H8O9 |
Nicorandil 98.0+%, TCI America™
CAS: 65141-46-0 Molecular Formula: C8H9N3O4 Molecular Weight (g/mol): 211.18 MDL Number: MFCD00186520 InChI Key: LBHIOVVIQHSOQN-UHFFFAOYSA-N Synonym: nicorandil,ikorel,2-nicotinamidoethyl nitrate,adancor,dancor,nicorandilum,sigmart,2-pyridine-3-carbonylamino ethyl nitrate,n-2-hydroxyethyl nicotinamide nitrate,nicorandilum inn-latin PubChem CID: 47528 ChEBI: CHEBI:31905 IUPAC Name: 2-[(pyridin-3-yl)formamido]ethyl nitrate SMILES: [O-][N+](=O)OCCNC(=O)C1=CC=CN=C1
| PubChem CID | 47528 |
|---|---|
| CAS | 65141-46-0 |
| Molecular Weight (g/mol) | 211.18 |
| ChEBI | CHEBI:31905 |
| MDL Number | MFCD00186520 |
| SMILES | [O-][N+](=O)OCCNC(=O)C1=CC=CN=C1 |
| Synonym | nicorandil,ikorel,2-nicotinamidoethyl nitrate,adancor,dancor,nicorandilum,sigmart,2-pyridine-3-carbonylamino ethyl nitrate,n-2-hydroxyethyl nicotinamide nitrate,nicorandilum inn-latin |
| IUPAC Name | 2-[(pyridin-3-yl)formamido]ethyl nitrate |
| InChI Key | LBHIOVVIQHSOQN-UHFFFAOYSA-N |
| Molecular Formula | C8H9N3O4 |
Methyl Indole-3-carboxylate 98.0+%, TCI America™
CAS: 942-24-5 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00189407 InChI Key: QXAUTQFAWKKNLM-UHFFFAOYSA-N Synonym: methyl indole-3-carboxylate,indole-3-carboxylic acid methyl ester,methyl 3-indolecarboxylate,1h-indole-3-carboxylic acid methyl ester,1h-indole-3-carboxylic acid, methyl ester,3-carbomethoxyindole,3-methoxycarbonylindole,methylindole-3-carboxylate,indole-3-carboxylic acid, methyl ester,methyl-3-indolcarboxylate PubChem CID: 589098 ChEBI: CHEBI:65019 IUPAC Name: methyl 1H-indole-3-carboxylate SMILES: COC(=O)C1=CNC2=CC=CC=C21
| PubChem CID | 589098 |
|---|---|
| CAS | 942-24-5 |
| Molecular Weight (g/mol) | 175.187 |
| ChEBI | CHEBI:65019 |
| MDL Number | MFCD00189407 |
| SMILES | COC(=O)C1=CNC2=CC=CC=C21 |
| Synonym | methyl indole-3-carboxylate,indole-3-carboxylic acid methyl ester,methyl 3-indolecarboxylate,1h-indole-3-carboxylic acid methyl ester,1h-indole-3-carboxylic acid, methyl ester,3-carbomethoxyindole,3-methoxycarbonylindole,methylindole-3-carboxylate,indole-3-carboxylic acid, methyl ester,methyl-3-indolcarboxylate |
| IUPAC Name | methyl 1H-indole-3-carboxylate |
| InChI Key | QXAUTQFAWKKNLM-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
7-Deazahypoxanthine 98.0+%, TCI America™
CAS: 3680-71-5 Molecular Formula: C6H5N3O Molecular Weight (g/mol): 135.13 MDL Number: MFCD08445809 InChI Key: FBMZEITWVNHWJW-UHFFFAOYSA-N Synonym: 7h-pyrrolo 2,3-d pyrimidin-4-ol,pyrrolo 2,3-d pyrimidin-4-ol,7-deazahypoxanthine,3h-pyrrolo 2,3-d pyrimidin-4 7h-one,4-hydroxypyrrolo 2,3-d pyrimidine,4-hydroxypyrrolopyrimidine,1h-pyrrolo 2,3-d pyrimidin-4 7h-one,3,7-dihydro-4h-pyrrolo 2,3-d pyrimidin-4-one,pyrrolo 2,3-d pyrimidin-4-one PubChem CID: 96194 IUPAC Name: 1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one SMILES: O=C1N=CNC2=C1C=CN2
| PubChem CID | 96194 |
|---|---|
| CAS | 3680-71-5 |
| Molecular Weight (g/mol) | 135.13 |
| MDL Number | MFCD08445809 |
| SMILES | O=C1N=CNC2=C1C=CN2 |
| Synonym | 7h-pyrrolo 2,3-d pyrimidin-4-ol,pyrrolo 2,3-d pyrimidin-4-ol,7-deazahypoxanthine,3h-pyrrolo 2,3-d pyrimidin-4 7h-one,4-hydroxypyrrolo 2,3-d pyrimidine,4-hydroxypyrrolopyrimidine,1h-pyrrolo 2,3-d pyrimidin-4 7h-one,3,7-dihydro-4h-pyrrolo 2,3-d pyrimidin-4-one,pyrrolo 2,3-d pyrimidin-4-one |
| IUPAC Name | 1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one |
| InChI Key | FBMZEITWVNHWJW-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3O |
Ethyl 3,3-Bis(methylthio)-2-cyanoacrylate 98.0+%, TCI America™
CAS: 17823-58-4 Molecular Formula: C8H11NO2S2 Molecular Weight (g/mol): 217.30 MDL Number: MFCD00143027 InChI Key: POABRARINOCORV-UHFFFAOYSA-N Synonym: 3,3-Bis(methylthio)-2-cyanoacrylic Acid Ethyl Ester PubChem CID: 2747745 IUPAC Name: ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate SMILES: CCOC(=O)C(C#N)=C(SC)SC
| PubChem CID | 2747745 |
|---|---|
| CAS | 17823-58-4 |
| Molecular Weight (g/mol) | 217.30 |
| MDL Number | MFCD00143027 |
| SMILES | CCOC(=O)C(C#N)=C(SC)SC |
| Synonym | 3,3-Bis(methylthio)-2-cyanoacrylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate |
| InChI Key | POABRARINOCORV-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2S2 |
4-Aminoantipyrine 98.0+%, TCI America™
CAS: 83-07-8 Molecular Formula: C11H13N3O Molecular Weight (g/mol): 203.245 MDL Number: MFCD00003145 InChI Key: RLFWWDJHLFCNIJ-UHFFFAOYSA-N Synonym: 4-aminoantipyrine,ampyrone,metapirazone,aminoantipyrine,solvapyrin-a,aminoazophene,4-aminophenazone,4-aminoantipyrene,aminoantipyrin,solnapyrin-a PubChem CID: 2151 ChEBI: CHEBI:59026 IUPAC Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
| PubChem CID | 2151 |
|---|---|
| CAS | 83-07-8 |
| Molecular Weight (g/mol) | 203.245 |
| ChEBI | CHEBI:59026 |
| MDL Number | MFCD00003145 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N |
| Synonym | 4-aminoantipyrine,ampyrone,metapirazone,aminoantipyrine,solvapyrin-a,aminoazophene,4-aminophenazone,4-aminoantipyrene,aminoantipyrin,solnapyrin-a |
| IUPAC Name | 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one |
| InChI Key | RLFWWDJHLFCNIJ-UHFFFAOYSA-N |
| Molecular Formula | C11H13N3O |
3-Ethoxyacryloyl Chloride 88.0+%, TCI America™
CAS: 6191-99-7 Molecular Formula: C5H7ClO2 Molecular Weight (g/mol): 134.559 MDL Number: MFCD09029675 InChI Key: SFMFACMIOWQIPR-ONEGZZNKSA-N PubChem CID: 5325500 IUPAC Name: (E)-3-ethoxyprop-2-enoyl chloride SMILES: CCOC=CC(=O)Cl
| PubChem CID | 5325500 |
|---|---|
| CAS | 6191-99-7 |
| Molecular Weight (g/mol) | 134.559 |
| MDL Number | MFCD09029675 |
| SMILES | CCOC=CC(=O)Cl |
| IUPAC Name | (E)-3-ethoxyprop-2-enoyl chloride |
| InChI Key | SFMFACMIOWQIPR-ONEGZZNKSA-N |
| Molecular Formula | C5H7ClO2 |
Ethyl 2-Amino-4,5-dimethylthiophene-3-carboxylate 98.0+%, TCI America™
CAS: 4815-24-1 Molecular Formula: C9H13NO2S Molecular Weight (g/mol): 199.268 MDL Number: MFCD00085051 InChI Key: JYSDXODDWAQWJR-UHFFFAOYSA-N Synonym: ethyl 2-amino-4,5-dimethyl3-thenoate,ethyl 2-amino-4,5-dimethyl-3-thiophenecarboxylate,2-amino-4,5-dimethylthiophene-3-carboxylic acid ethyl ester,2-amino-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester,3-thiophenecarboxylic acid, 2-amino-4,5-dimethyl-, ethyl ester,2-amino-3-carbethoxy-4,5-dimethylthiophene,2-amino-4,5-dimethyl-3-ethoxycarbonyl-thiophene,ethyl-2-amino-4,5-dimethylthiophene-3-carboxylate,ethyl2-amino-4,5-dimethylthiophene-3-carboxylate,ethyl 2-amino-4,5-dimethyl-thiophene-3-carboxylate PubChem CID: 78536 IUPAC Name: ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate SMILES: CCOC(=O)C1=C(SC(=C1C)C)N
| PubChem CID | 78536 |
|---|---|
| CAS | 4815-24-1 |
| Molecular Weight (g/mol) | 199.268 |
| MDL Number | MFCD00085051 |
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)N |
| Synonym | ethyl 2-amino-4,5-dimethyl3-thenoate,ethyl 2-amino-4,5-dimethyl-3-thiophenecarboxylate,2-amino-4,5-dimethylthiophene-3-carboxylic acid ethyl ester,2-amino-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester,3-thiophenecarboxylic acid, 2-amino-4,5-dimethyl-, ethyl ester,2-amino-3-carbethoxy-4,5-dimethylthiophene,2-amino-4,5-dimethyl-3-ethoxycarbonyl-thiophene,ethyl-2-amino-4,5-dimethylthiophene-3-carboxylate,ethyl2-amino-4,5-dimethylthiophene-3-carboxylate,ethyl 2-amino-4,5-dimethyl-thiophene-3-carboxylate |
| IUPAC Name | ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate |
| InChI Key | JYSDXODDWAQWJR-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO2S |
1-Cyano-2-propenyl Acetate 97.0+%, TCI America™
CAS: 15667-63-7 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD00010336 InChI Key: MEHLEOUIWVWVBF-UHFFFAOYSA-N Synonym: Acetic Acid 1-Cyano-2-propenyl Ester, DL-2-Acetoxy-3-butenenitrile, 1-Cyanoallyl Acetate PubChem CID: 85891 IUPAC Name: 1-cyanoprop-2-enyl acetate SMILES: CC(=O)OC(C=C)C#N
| PubChem CID | 85891 |
|---|---|
| CAS | 15667-63-7 |
| Molecular Weight (g/mol) | 125.127 |
| MDL Number | MFCD00010336 |
| SMILES | CC(=O)OC(C=C)C#N |
| Synonym | Acetic Acid 1-Cyano-2-propenyl Ester, DL-2-Acetoxy-3-butenenitrile, 1-Cyanoallyl Acetate |
| IUPAC Name | 1-cyanoprop-2-enyl acetate |
| InChI Key | MEHLEOUIWVWVBF-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
tert-Butyl 5-Norbornene-2-carboxylate (endo- and exo- mixture) 95.0+%, TCI America™
CAS: 154970-45-3 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.274 MDL Number: MFCD18083704 InChI Key: BZBMBZJUNPMEBD-UHFFFAOYSA-N Synonym: 5-Norbornene-2-carboxylic Acid tert-Butyl Ester, tert-Butyl Bicyclo[2.2.1]hept-5-ene-2-carboxylate, Bicyclo[2.2.1]hept-5-ene-2-carboxylic Acid tert-Butyl Ester PubChem CID: 15607334 IUPAC Name: tert-butyl bicyclo[2.2.1]hept-2-ene-5-carboxylate SMILES: CC(C)(C)OC(=O)C1CC2CC1C=C2
| PubChem CID | 15607334 |
|---|---|
| CAS | 154970-45-3 |
| Molecular Weight (g/mol) | 194.274 |
| MDL Number | MFCD18083704 |
| SMILES | CC(C)(C)OC(=O)C1CC2CC1C=C2 |
| Synonym | 5-Norbornene-2-carboxylic Acid tert-Butyl Ester, tert-Butyl Bicyclo[2.2.1]hept-5-ene-2-carboxylate, Bicyclo[2.2.1]hept-5-ene-2-carboxylic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl bicyclo[2.2.1]hept-2-ene-5-carboxylate |
| InChI Key | BZBMBZJUNPMEBD-UHFFFAOYSA-N |
| Molecular Formula | C12H18O2 |