Organic acids and derivatives
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1-Butylhydantoin 98.0+%, TCI America™
CAS: 33599-32-5 Molecular Formula: C7H12N2O2 Molecular Weight (g/mol): 156.185 MDL Number: MFCD00142674 InChI Key: NOHNSECEKFOVGT-UHFFFAOYSA-N Synonym: 1-Butyl-2,4-dioxoimidazolidine PubChem CID: 118506 IUPAC Name: 1-butylimidazolidine-2,4-dione SMILES: CCCCN1CC(=O)NC1=O
| PubChem CID | 118506 |
|---|---|
| CAS | 33599-32-5 |
| Molecular Weight (g/mol) | 156.185 |
| MDL Number | MFCD00142674 |
| SMILES | CCCCN1CC(=O)NC1=O |
| Synonym | 1-Butyl-2,4-dioxoimidazolidine |
| IUPAC Name | 1-butylimidazolidine-2,4-dione |
| InChI Key | NOHNSECEKFOVGT-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2O2 |
Methyl 3-Hydroxy-2-thiophenecarboxylate 97.0+%, TCI America™
CAS: 5118-06-9 Molecular Formula: C6H6O3S Molecular Weight (g/mol): 158.17 MDL Number: MFCD00055642 InChI Key: FYOPNADYSPZUAT-WAYWQWQTSA-N Synonym: methyl 3-hydroxy-2-thiophenecarboxylate,3-hydroxy-2-thiophenecarboxylic acid methyl ester,3-hydroxy-thiophene-2-carboxylic acid methyl ester,3-hydroxythiophene-2-carboxylic acid methyl ester,pubchem7744,acmc-1aqhj,maybridge3_005989,3-hydroxy-2-methoxycarbonylthiophene,3-hydroxy-2-methoxycarbonyl-thiophene,methyl 3-hydroxythiophen-2-caboxylate PubChem CID: 581127 IUPAC Name: methyl 3-hydroxythiophene-2-carboxylate SMILES: COC(=O)C1=C(C=CS1)O
| PubChem CID | 581127 |
|---|---|
| CAS | 5118-06-9 |
| Molecular Weight (g/mol) | 158.17 |
| MDL Number | MFCD00055642 |
| SMILES | COC(=O)C1=C(C=CS1)O |
| Synonym | methyl 3-hydroxy-2-thiophenecarboxylate,3-hydroxy-2-thiophenecarboxylic acid methyl ester,3-hydroxy-thiophene-2-carboxylic acid methyl ester,3-hydroxythiophene-2-carboxylic acid methyl ester,pubchem7744,acmc-1aqhj,maybridge3_005989,3-hydroxy-2-methoxycarbonylthiophene,3-hydroxy-2-methoxycarbonyl-thiophene,methyl 3-hydroxythiophen-2-caboxylate |
| IUPAC Name | methyl 3-hydroxythiophene-2-carboxylate |
| InChI Key | FYOPNADYSPZUAT-WAYWQWQTSA-N |
| Molecular Formula | C6H6O3S |
2-Azidoethyl 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranoside 92.0+%, TCI America™
CAS: 140428-81-5 Molecular Formula: C16H23N3O10 Molecular Weight (g/mol): 417.371 InChI Key: DPAXDKFCBLGMIZ-WFDRTZIDSA-N PubChem CID: 53384426 IUPAC Name: [(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OCCN=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 53384426 |
|---|---|
| CAS | 140428-81-5 |
| Molecular Weight (g/mol) | 417.371 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OCCN=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C |
| IUPAC Name | [(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate |
| InChI Key | DPAXDKFCBLGMIZ-WFDRTZIDSA-N |
| Molecular Formula | C16H23N3O10 |
Dibutyl N,N-Diethylcarbamoylmethylphosphonate [for Extraction of Lanthanides and Actinides], TCI America™
CAS: 7439-68-1 Molecular Formula: C14H30NO4P Molecular Weight (g/mol): 307.37 MDL Number: MFCD00015240 InChI Key: SGGUHCSKZHSULP-UHFFFAOYSA-N Synonym: N,N-Diethylcarbamoylmethylphosphonic Acid Dibutyl Ester, DBDECMP PubChem CID: 2843612 IUPAC Name: dibutyl [(diethylcarbamoyl)methyl]phosphonate SMILES: CCCCOP(=O)(CC(=O)N(CC)CC)OCCCC
| PubChem CID | 2843612 |
|---|---|
| CAS | 7439-68-1 |
| Molecular Weight (g/mol) | 307.37 |
| MDL Number | MFCD00015240 |
| SMILES | CCCCOP(=O)(CC(=O)N(CC)CC)OCCCC |
| Synonym | N,N-Diethylcarbamoylmethylphosphonic Acid Dibutyl Ester, DBDECMP |
| IUPAC Name | dibutyl [(diethylcarbamoyl)methyl]phosphonate |
| InChI Key | SGGUHCSKZHSULP-UHFFFAOYSA-N |
| Molecular Formula | C14H30NO4P |
2,5-Dimethyl-4-hydroxy-3(2H)-furanone (15% in Propylene Glycol, ca. 1.2mol/L), TCI America™
CAS: 3658-77-3 Molecular Formula: C6H8O3 Molecular Weight (g/mol): 128.127 MDL Number: MFCD00010706 InChI Key: INAXVXBDKKUCGI-UHFFFAOYSA-N Synonym: 4-Hydroxy-2,5-dimethyl-3(2H)-furanone PubChem CID: 19309 ChEBI: CHEBI:76247 IUPAC Name: 4-hydroxy-2,5-dimethylfuran-3-one SMILES: CC1C(=O)C(=C(O1)C)O
| PubChem CID | 19309 |
|---|---|
| CAS | 3658-77-3 |
| Molecular Weight (g/mol) | 128.127 |
| ChEBI | CHEBI:76247 |
| MDL Number | MFCD00010706 |
| SMILES | CC1C(=O)C(=C(O1)C)O |
| Synonym | 4-Hydroxy-2,5-dimethyl-3(2H)-furanone |
| IUPAC Name | 4-hydroxy-2,5-dimethylfuran-3-one |
| InChI Key | INAXVXBDKKUCGI-UHFFFAOYSA-N |
| Molecular Formula | C6H8O3 |
Candesartan Cilexetil 98.0+%, TCI America™
CAS: 145040-37-5 Molecular Formula: C33H34N6O6 Molecular Weight (g/mol): 610.671 MDL Number: MFCD00871371 InChI Key: GHOSNRCGJFBJIB-UHFFFAOYSA-N Synonym: candesartan cilexetil,atacand,amias,parapres,kenzen,candesartan cilexetil usan,candesartan cilexitil,candesartan cilextil,chembl1014 PubChem CID: 2540 ChEBI: CHEBI:3348 IUPAC Name: 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6
| PubChem CID | 2540 |
|---|---|
| CAS | 145040-37-5 |
| Molecular Weight (g/mol) | 610.671 |
| ChEBI | CHEBI:3348 |
| MDL Number | MFCD00871371 |
| SMILES | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6 |
| Synonym | candesartan cilexetil,atacand,amias,parapres,kenzen,candesartan cilexetil usan,candesartan cilexitil,candesartan cilextil,chembl1014 |
| IUPAC Name | 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate |
| InChI Key | GHOSNRCGJFBJIB-UHFFFAOYSA-N |
| Molecular Formula | C33H34N6O6 |
tert-Butyl Propionate 98.0+%, TCI America™
CAS: 20487-40-5 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009304 InChI Key: JAELLLITIZHOGQ-UHFFFAOYSA-N Synonym: tert-butyl propionate,propanoic acid, 1,1-dimethylethyl ester,propionic acid, tert-butyl ester,t-butyl propionate,t-butyl propanoate,tert-butylpropionate,1,1-dimethylethyl propionate,tert-?butyl propionate,propionic acid tert-butyl ester,acmc-1cr5r PubChem CID: 88561 IUPAC Name: tert-butyl propanoate SMILES: CCC(=O)OC(C)(C)C
| PubChem CID | 88561 |
|---|---|
| CAS | 20487-40-5 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00009304 |
| SMILES | CCC(=O)OC(C)(C)C |
| Synonym | tert-butyl propionate,propanoic acid, 1,1-dimethylethyl ester,propionic acid, tert-butyl ester,t-butyl propionate,t-butyl propanoate,tert-butylpropionate,1,1-dimethylethyl propionate,tert-?butyl propionate,propionic acid tert-butyl ester,acmc-1cr5r |
| IUPAC Name | tert-butyl propanoate |
| InChI Key | JAELLLITIZHOGQ-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
3-(3-Pyridyl)propionic Acid 98.0+%, TCI America™
CAS: 3724-19-4 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00274197 InChI Key: WDGXIUUWINKTGP-UHFFFAOYSA-N Synonym: 3-3-pyridyl propionic acid,3-pyridinepropionic acid,3-pyridinepropanoic acid,3-pyridin-3-yl propanoic acid,3-3-pyridyl propionicacid,pyridine-3-propionic acid,3-3-pyridyl propanoic acid,3-pyridin-3-yl propionic acid,pubchem8701,maybridge4_001332 PubChem CID: 259624 IUPAC Name: 3-pyridin-3-ylpropanoic acid SMILES: C1=CC(=CN=C1)CCC(=O)O
| PubChem CID | 259624 |
|---|---|
| CAS | 3724-19-4 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00274197 |
| SMILES | C1=CC(=CN=C1)CCC(=O)O |
| Synonym | 3-3-pyridyl propionic acid,3-pyridinepropionic acid,3-pyridinepropanoic acid,3-pyridin-3-yl propanoic acid,3-3-pyridyl propionicacid,pyridine-3-propionic acid,3-3-pyridyl propanoic acid,3-pyridin-3-yl propionic acid,pubchem8701,maybridge4_001332 |
| IUPAC Name | 3-pyridin-3-ylpropanoic acid |
| InChI Key | WDGXIUUWINKTGP-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
omega-Octalactam 98.0+%, TCI America™
CAS: 935-30-8 Molecular Formula: C8H15NO Molecular Weight (g/mol): 141.214 MDL Number: MFCD00003273 InChI Key: YDLSUFFXJYEVHW-UHFFFAOYSA-N Synonym: 2-azacyclononanone,caprylolactam,capryllactam,azacyclononan-2-one,8-octanelactam,8-aminooctanoic acid lactam,2-perhydroazoninone,2h-azonin-2-one, octahydro,cyclooctanone lactam,octamethylenimine, 2-oxo PubChem CID: 13632 IUPAC Name: azonan-2-one SMILES: C1CCCC(=O)NCCC1
| PubChem CID | 13632 |
|---|---|
| CAS | 935-30-8 |
| Molecular Weight (g/mol) | 141.214 |
| MDL Number | MFCD00003273 |
| SMILES | C1CCCC(=O)NCCC1 |
| Synonym | 2-azacyclononanone,caprylolactam,capryllactam,azacyclononan-2-one,8-octanelactam,8-aminooctanoic acid lactam,2-perhydroazoninone,2h-azonin-2-one, octahydro,cyclooctanone lactam,octamethylenimine, 2-oxo |
| IUPAC Name | azonan-2-one |
| InChI Key | YDLSUFFXJYEVHW-UHFFFAOYSA-N |
| Molecular Formula | C8H15NO |
Butyl Crotonate 97.0+%, TCI America™
CAS: 7299-91-4 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00053794 InChI Key: GWCTUKHUBWMAMI-GQCTYLIASA-N Synonym: Crotonic Acid Butyl Ester PubChem CID: 5366039 IUPAC Name: butyl (2E)-but-2-enoate SMILES: CCCCOC(=O)\C=C\C
| PubChem CID | 5366039 |
|---|---|
| CAS | 7299-91-4 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00053794 |
| SMILES | CCCCOC(=O)\C=C\C |
| Synonym | Crotonic Acid Butyl Ester |
| IUPAC Name | butyl (2E)-but-2-enoate |
| InChI Key | GWCTUKHUBWMAMI-GQCTYLIASA-N |
| Molecular Formula | C8H14O2 |
N-Carbobenzoxy-L-threonine 98.0+%, TCI America™
CAS: 19728-63-3 Molecular Formula: C12H15NO5 Molecular Weight (g/mol): 253.25 MDL Number: MFCD00065948 InChI Key: IPJUIRDNBFZGQN-SCZZXKLOSA-N Synonym: z-thr-oh,n-cbz-l-threonine,z-l-threonine,z-l-thr-oh,n-benzyloxycarbonyl-l-threonine,cbz-l-threonine,n-carbobenzyloxy-l-threonine,l-threonine, n-phenylmethoxy carbonyl,benzyloxycarbonyl-l-threonine,n-benzyloxy carbonyl-l-threonine PubChem CID: 88217 IUPAC Name: (2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid SMILES: C[C@@H](O)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O
| PubChem CID | 88217 |
|---|---|
| CAS | 19728-63-3 |
| Molecular Weight (g/mol) | 253.25 |
| MDL Number | MFCD00065948 |
| SMILES | C[C@@H](O)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O |
| Synonym | z-thr-oh,n-cbz-l-threonine,z-l-threonine,z-l-thr-oh,n-benzyloxycarbonyl-l-threonine,cbz-l-threonine,n-carbobenzyloxy-l-threonine,l-threonine, n-phenylmethoxy carbonyl,benzyloxycarbonyl-l-threonine,n-benzyloxy carbonyl-l-threonine |
| IUPAC Name | (2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid |
| InChI Key | IPJUIRDNBFZGQN-SCZZXKLOSA-N |
| Molecular Formula | C12H15NO5 |
4-Butylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 145240-28-4 Molecular Formula: C10H15BO2 Molecular Weight (g/mol): 178.038 MDL Number: MFCD02093926 InChI Key: UGZUUTHZEATQAM-UHFFFAOYSA-N PubChem CID: 4100860 IUPAC Name: (4-butylphenyl)boronic acid SMILES: B(C1=CC=C(C=C1)CCCC)(O)O
| PubChem CID | 4100860 |
|---|---|
| CAS | 145240-28-4 |
| Molecular Weight (g/mol) | 178.038 |
| MDL Number | MFCD02093926 |
| SMILES | B(C1=CC=C(C=C1)CCCC)(O)O |
| IUPAC Name | (4-butylphenyl)boronic acid |
| InChI Key | UGZUUTHZEATQAM-UHFFFAOYSA-N |
| Molecular Formula | C10H15BO2 |
Ethyl 3-Ethoxyacrylate (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 1001-26-9 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009863 InChI Key: ITQFPVUDTFABDH-AATRIKPKSA-N PubChem CID: 5366269 IUPAC Name: ethyl (E)-3-ethoxyprop-2-enoate SMILES: CCOC=CC(=O)OCC
| PubChem CID | 5366269 |
|---|---|
| CAS | 1001-26-9 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009863 |
| SMILES | CCOC=CC(=O)OCC |
| IUPAC Name | ethyl (E)-3-ethoxyprop-2-enoate |
| InChI Key | ITQFPVUDTFABDH-AATRIKPKSA-N |
| Molecular Formula | C7H12O3 |
Ethyl 2-Bromoisovalerate 98.0+%, TCI America™
CAS: 609-12-1 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.083 MDL Number: MFCD00026855 InChI Key: WNFUWONOILPKNX-UHFFFAOYSA-N Synonym: ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate PubChem CID: 79068 IUPAC Name: ethyl 2-bromo-3-methylbutanoate SMILES: CCOC(=O)C(C(C)C)Br
| PubChem CID | 79068 |
|---|---|
| CAS | 609-12-1 |
| Molecular Weight (g/mol) | 209.083 |
| MDL Number | MFCD00026855 |
| SMILES | CCOC(=O)C(C(C)C)Br |
| Synonym | ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate |
| IUPAC Name | ethyl 2-bromo-3-methylbutanoate |
| InChI Key | WNFUWONOILPKNX-UHFFFAOYSA-N |
| Molecular Formula | C7H13BrO2 |
2'-Bromo-4'-methylacetanilide 98.0+%, TCI America™
CAS: 614-83-5 Molecular Formula: C9H10BrNO Molecular Weight (g/mol): 228.089 MDL Number: MFCD00017781 InChI Key: UUDGTWKIIUEVJD-UHFFFAOYSA-N Synonym: n-2-bromo-4-methylphenyl acetamide,2'-bromo-4'-methylacetanilide,2-bromo-4-methylacetanilide,acetamide, n-2-bromo-4-methylphenyl,n-acetyl-2-bromo-p-toluidine,acmc-1bdfo,2'-bromo-p-acetotoluidide,cambridge id 5104354,4-acetamino-3-bromo-toluene,2-bromo-4-methyl acetanilide PubChem CID: 69200 IUPAC Name: N-(2-bromo-4-methylphenyl)acetamide SMILES: CC1=CC(=C(C=C1)NC(=O)C)Br
| PubChem CID | 69200 |
|---|---|
| CAS | 614-83-5 |
| Molecular Weight (g/mol) | 228.089 |
| MDL Number | MFCD00017781 |
| SMILES | CC1=CC(=C(C=C1)NC(=O)C)Br |
| Synonym | n-2-bromo-4-methylphenyl acetamide,2'-bromo-4'-methylacetanilide,2-bromo-4-methylacetanilide,acetamide, n-2-bromo-4-methylphenyl,n-acetyl-2-bromo-p-toluidine,acmc-1bdfo,2'-bromo-p-acetotoluidide,cambridge id 5104354,4-acetamino-3-bromo-toluene,2-bromo-4-methyl acetanilide |
| IUPAC Name | N-(2-bromo-4-methylphenyl)acetamide |
| InChI Key | UUDGTWKIIUEVJD-UHFFFAOYSA-N |
| Molecular Formula | C9H10BrNO |