Organic acids and derivatives
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1-Hexanesulfonic acid, sodium salt, 99+%, Ion pair chromatography, anhydrous
CAS: 2832-45-3 Molecular Formula: C6H13NaO3S Molecular Weight (g/mol): 188.22 MDL Number: MFCD00007542 InChI Key: QWSZRRAAFHGKCH-UHFFFAOYSA-M Synonym: sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt PubChem CID: 23677630 IUPAC Name: sodium;hexane-1-sulfonate SMILES: [Na+].CCCCCCS([O-])(=O)=O
| PubChem CID | 23677630 |
|---|---|
| CAS | 2832-45-3 |
| Molecular Weight (g/mol) | 188.22 |
| MDL Number | MFCD00007542 |
| SMILES | [Na+].CCCCCCS([O-])(=O)=O |
| Synonym | sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt |
| IUPAC Name | sodium;hexane-1-sulfonate |
| InChI Key | QWSZRRAAFHGKCH-UHFFFAOYSA-M |
| Molecular Formula | C6H13NaO3S |
Aminomethanesulfonic acid, 97%
CAS: 13881-91-9 Molecular Formula: CH5NO3S Molecular Weight (g/mol): 111.12 MDL Number: MFCD00008124 InChI Key: OBESRABRARNZJB-UHFFFAOYSA-N Synonym: methanesulfonic acid, amino,aminomethanesulphonic acid,aminomethyl sulfonic acid,aminomethylsulfonic acid,unii-ola224z482,methanesulfonic acid, 1-amino,aminomethanesulfonicacid,sodium aminomethanesulphonate,aminomethanesulfonic,aminomethanesulfoniccid PubChem CID: 83791 IUPAC Name: aminomethanesulfonic acid SMILES: C(N)S(=O)(=O)O
| PubChem CID | 83791 |
|---|---|
| CAS | 13881-91-9 |
| Molecular Weight (g/mol) | 111.12 |
| MDL Number | MFCD00008124 |
| SMILES | C(N)S(=O)(=O)O |
| Synonym | methanesulfonic acid, amino,aminomethanesulphonic acid,aminomethyl sulfonic acid,aminomethylsulfonic acid,unii-ola224z482,methanesulfonic acid, 1-amino,aminomethanesulfonicacid,sodium aminomethanesulphonate,aminomethanesulfonic,aminomethanesulfoniccid |
| IUPAC Name | aminomethanesulfonic acid |
| InChI Key | OBESRABRARNZJB-UHFFFAOYSA-N |
| Molecular Formula | CH5NO3S |
N-(2-Chloroethyl)acetamide, 98%
CAS: 7355-58-0 Molecular Formula: C4H8ClNO Molecular Weight (g/mol): 121.57 MDL Number: MFCD00000965 InChI Key: HSKNJSHFPPHTAQ-UHFFFAOYSA-N Synonym: n-2-chloroethyl acetamide,acetamide, n-2-chloroethyl,n-2-chloro-ethyl-acetamide,n-acetyl-2-chloroethylamine,n 2-chloroethyl acetamide,n-acetyl-ss-chlorathylamin,acmc-1bi05,n-2-chloroethyl-acetamide,4-04-00-00449 beilstein handbook reference PubChem CID: 81815 IUPAC Name: N-(2-chloroethyl)acetamide SMILES: CC(=O)NCCCl
| PubChem CID | 81815 |
|---|---|
| CAS | 7355-58-0 |
| Molecular Weight (g/mol) | 121.57 |
| MDL Number | MFCD00000965 |
| SMILES | CC(=O)NCCCl |
| Synonym | n-2-chloroethyl acetamide,acetamide, n-2-chloroethyl,n-2-chloro-ethyl-acetamide,n-acetyl-2-chloroethylamine,n 2-chloroethyl acetamide,n-acetyl-ss-chlorathylamin,acmc-1bi05,n-2-chloroethyl-acetamide,4-04-00-00449 beilstein handbook reference |
| IUPAC Name | N-(2-chloroethyl)acetamide |
| InChI Key | HSKNJSHFPPHTAQ-UHFFFAOYSA-N |
| Molecular Formula | C4H8ClNO |
N,N-Dimethylacetamide dimethyl acetal, 97%, stabilized
CAS: 18871-66-4 Molecular Formula: C6H15NO2 Molecular Weight (g/mol): 133.19 MDL Number: MFCD00008476 InChI Key: FBZVZUSVGKOWHG-UHFFFAOYSA-N Synonym: n,n-dimethylacetamide dimethyl acetal,1,1-dimethoxy-n,n-dimethylethylamine,1,1-dimethoxyethyl dimethylamine,1,1-dimethoxyethyl dimethyl amine,1,1-dimethoxy-ethyl-dimethyl-amine,ethanamine, 1,1-dimethoxy-n,n-dimethyl,dimethylacetamide dimethylacetal,dimethylacetamide dimethyl acetal,n,n-dimethylacetamide dimethyl acetal, stabilized with methanol,zlchem 332 PubChem CID: 87835 IUPAC Name: 1,1-dimethoxy-N,N-dimethylethanamine SMILES: CC(N(C)C)(OC)OC
| PubChem CID | 87835 |
|---|---|
| CAS | 18871-66-4 |
| Molecular Weight (g/mol) | 133.19 |
| MDL Number | MFCD00008476 |
| SMILES | CC(N(C)C)(OC)OC |
| Synonym | n,n-dimethylacetamide dimethyl acetal,1,1-dimethoxy-n,n-dimethylethylamine,1,1-dimethoxyethyl dimethylamine,1,1-dimethoxyethyl dimethyl amine,1,1-dimethoxy-ethyl-dimethyl-amine,ethanamine, 1,1-dimethoxy-n,n-dimethyl,dimethylacetamide dimethylacetal,dimethylacetamide dimethyl acetal,n,n-dimethylacetamide dimethyl acetal, stabilized with methanol,zlchem 332 |
| IUPAC Name | 1,1-dimethoxy-N,N-dimethylethanamine |
| InChI Key | FBZVZUSVGKOWHG-UHFFFAOYSA-N |
| Molecular Formula | C6H15NO2 |
Ethyl caprate, 99+%
CAS: 110-38-3 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.32 MDL Number: MFCD00009581 InChI Key: RGXWDWUGBIJHDO-UHFFFAOYSA-N Synonym: ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo PubChem CID: 8048 ChEBI: CHEBI:87430 IUPAC Name: ethyl decanoate SMILES: CCCCCCCCCC(=O)OCC
| PubChem CID | 8048 |
|---|---|
| CAS | 110-38-3 |
| Molecular Weight (g/mol) | 200.32 |
| ChEBI | CHEBI:87430 |
| MDL Number | MFCD00009581 |
| SMILES | CCCCCCCCCC(=O)OCC |
| Synonym | ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo |
| IUPAC Name | ethyl decanoate |
| InChI Key | RGXWDWUGBIJHDO-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |
N-(2,3-Epoxypropyl)phthalimide, 95%
CAS: 5455-98-1 Molecular Formula: C11H9NO3 Molecular Weight (g/mol): 203.20 MDL Number: MFCD00005896,MFCD04973349,MFCD04973350 InChI Key: DUILGEYLVHGSEE-UHFFFAOYNA-N Synonym: n-2,3-epoxypropyl phthalimide,n-glycidylphthalimide,2-oxiran-2-ylmethyl isoindoline-1,3-dione,2-oxiran-2-ylmethyl-1h-isoindole-1,3 2h-dione,2,3-epoxypropylphthalimide,1h-isoindole-1,3 2h-dione, 2-oxiranylmethyl,denacol ex 731,phthalimidomethyl oxirane,n-2,3-epoxypropyl-2-phthalimide,phthalimide, n-2,3-epoxypropyl PubChem CID: 21601 IUPAC Name: 2-(oxiran-2-ylmethyl)isoindole-1,3-dione SMILES: O=C1N(CC2CO2)C(=O)C2=CC=CC=C12
| PubChem CID | 21601 |
|---|---|
| CAS | 5455-98-1 |
| Molecular Weight (g/mol) | 203.20 |
| MDL Number | MFCD00005896,MFCD04973349,MFCD04973350 |
| SMILES | O=C1N(CC2CO2)C(=O)C2=CC=CC=C12 |
| Synonym | n-2,3-epoxypropyl phthalimide,n-glycidylphthalimide,2-oxiran-2-ylmethyl isoindoline-1,3-dione,2-oxiran-2-ylmethyl-1h-isoindole-1,3 2h-dione,2,3-epoxypropylphthalimide,1h-isoindole-1,3 2h-dione, 2-oxiranylmethyl,denacol ex 731,phthalimidomethyl oxirane,n-2,3-epoxypropyl-2-phthalimide,phthalimide, n-2,3-epoxypropyl |
| IUPAC Name | 2-(oxiran-2-ylmethyl)isoindole-1,3-dione |
| InChI Key | DUILGEYLVHGSEE-UHFFFAOYNA-N |
| Molecular Formula | C11H9NO3 |
Methyl propiolate, 99%
CAS: 922-67-8 Molecular Formula: C4H4O2 Molecular Weight (g/mol): 84.07 MDL Number: MFCD00008572 InChI Key: IMAKHNTVDGLIRY-UHFFFAOYSA-N Synonym: methyl propiolate,methyl propynoate,2-propynoic acid, methyl ester,propiolic acid, methyl ester,methyl acetylenecarboxylate,methyl ethynecarboxylate,propynoic acid, methyl ester,propynoic acid methyl ester,methyl propargylate,acetylenecarboxylic acid methyl ester PubChem CID: 13536 IUPAC Name: methyl prop-2-ynoate SMILES: COC(=O)C#C
| PubChem CID | 13536 |
|---|---|
| CAS | 922-67-8 |
| Molecular Weight (g/mol) | 84.07 |
| MDL Number | MFCD00008572 |
| SMILES | COC(=O)C#C |
| Synonym | methyl propiolate,methyl propynoate,2-propynoic acid, methyl ester,propiolic acid, methyl ester,methyl acetylenecarboxylate,methyl ethynecarboxylate,propynoic acid, methyl ester,propynoic acid methyl ester,methyl propargylate,acetylenecarboxylic acid methyl ester |
| IUPAC Name | methyl prop-2-ynoate |
| InChI Key | IMAKHNTVDGLIRY-UHFFFAOYSA-N |
| Molecular Formula | C4H4O2 |
Methyl 4-bromocrotonate, 85%, tech.
CAS: 1117-71-1 Molecular Formula: C5H7BrO2 Molecular Weight (g/mol): 179.01 MDL Number: MFCD00000246,MFCD09998308 InChI Key: RWIKCBHOVNDESJ-NSCUHMNNSA-N Synonym: methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester PubChem CID: 5369175 SMILES: COC(=O)\C=C\CBr
| PubChem CID | 5369175 |
|---|---|
| CAS | 1117-71-1 |
| Molecular Weight (g/mol) | 179.01 |
| MDL Number | MFCD00000246,MFCD09998308 |
| SMILES | COC(=O)\C=C\CBr |
| Synonym | methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester |
| InChI Key | RWIKCBHOVNDESJ-NSCUHMNNSA-N |
| Molecular Formula | C5H7BrO2 |
Phenylpropiolic acid, 97%
CAS: 637-44-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 MDL Number: MFCD00004361 InChI Key: XNERWVPQCYSMLC-UHFFFAOYSA-N Synonym: phenylpropiolic acid,3-phenylpropiolic acid,phenylpropynoic acid,3-phenylpropynoic acid,2-propynoic acid, 3-phenyl,phenylacetylenecarboxylic acid,3-phenyl-2-propynoic acid,phenylacetylene monocarboxylic acid,propiolic acid, 3-phenyl,phenyl propiolic acid PubChem CID: 69475 IUPAC Name: 3-phenylprop-2-ynoic acid SMILES: OC(=O)C#CC1=CC=CC=C1
| PubChem CID | 69475 |
|---|---|
| CAS | 637-44-5 |
| Molecular Weight (g/mol) | 146.15 |
| MDL Number | MFCD00004361 |
| SMILES | OC(=O)C#CC1=CC=CC=C1 |
| Synonym | phenylpropiolic acid,3-phenylpropiolic acid,phenylpropynoic acid,3-phenylpropynoic acid,2-propynoic acid, 3-phenyl,phenylacetylenecarboxylic acid,3-phenyl-2-propynoic acid,phenylacetylene monocarboxylic acid,propiolic acid, 3-phenyl,phenyl propiolic acid |
| IUPAC Name | 3-phenylprop-2-ynoic acid |
| InChI Key | XNERWVPQCYSMLC-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
(+)-Diethyl L-tartrate, 99+%
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: diethyl (2R,3R)-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 | diethyl (2R,3R)-2,3-dihydroxybutanedioate |
| InChI Key | YSAVZVORKRDODB-UHFFFAOYNA-N |
| Molecular Formula | C8H14O6 |
N,N-Dimethylformamide diethyl acetal, 95%
CAS: 1188-33-6 Molecular Formula: C7H17NO2 Molecular Weight (g/mol): 147.22 MDL Number: MFCD00009227 InChI Key: BWKAYBPLDRWMCJ-UHFFFAOYSA-N Synonym: n,n-dimethylformamide diethyl acetal,1,1-diethoxytrimethylamine,methanamine, 1,1-diethoxy-n,n-dimethyl,n,n-dimethyformamide diethy acetal,diethoxymethyl dimethylamine,n,n-dimethylformamide diethylacetal,dimethylformamide diethylacetal,1,1-diethoxy trimethyl amine,1,1-diethoxy-n,n-dimethylmethylamine,1,1-diethoxy-n,n-dimethyl-methanamine PubChem CID: 70913 IUPAC Name: 1,1-diethoxy-N,N-dimethylmethanamine SMILES: CCOC(N(C)C)OCC
| PubChem CID | 70913 |
|---|---|
| CAS | 1188-33-6 |
| Molecular Weight (g/mol) | 147.22 |
| MDL Number | MFCD00009227 |
| SMILES | CCOC(N(C)C)OCC |
| Synonym | n,n-dimethylformamide diethyl acetal,1,1-diethoxytrimethylamine,methanamine, 1,1-diethoxy-n,n-dimethyl,n,n-dimethyformamide diethy acetal,diethoxymethyl dimethylamine,n,n-dimethylformamide diethylacetal,dimethylformamide diethylacetal,1,1-diethoxy trimethyl amine,1,1-diethoxy-n,n-dimethylmethylamine,1,1-diethoxy-n,n-dimethyl-methanamine |
| IUPAC Name | 1,1-diethoxy-N,N-dimethylmethanamine |
| InChI Key | BWKAYBPLDRWMCJ-UHFFFAOYSA-N |
| Molecular Formula | C7H17NO2 |
1,4-Butanesultone, 99%
CAS: 1633-83-6 Molecular Formula: C4H8O3S Molecular Weight (g/mol): 136.17 MDL Number: MFCD00006584 InChI Key: MHYFEEDKONKGEB-UHFFFAOYSA-N Synonym: 1,4-butane sultone,1,4-butanesultone,butane sultone,butanesultone,1,2-oxathiane, 2,2-dioxide,butanesulfone,1,2-oxathiane 2,2-dioxide,1,4-butylene sulfone,delta-valerosultone,1,4-butanesulfone PubChem CID: 15411 IUPAC Name: oxathiane 2,2-dioxide SMILES: O=S1(=O)CCCCO1
| PubChem CID | 15411 |
|---|---|
| CAS | 1633-83-6 |
| Molecular Weight (g/mol) | 136.17 |
| MDL Number | MFCD00006584 |
| SMILES | O=S1(=O)CCCCO1 |
| Synonym | 1,4-butane sultone,1,4-butanesultone,butane sultone,butanesultone,1,2-oxathiane, 2,2-dioxide,butanesulfone,1,2-oxathiane 2,2-dioxide,1,4-butylene sulfone,delta-valerosultone,1,4-butanesulfone |
| IUPAC Name | oxathiane 2,2-dioxide |
| InChI Key | MHYFEEDKONKGEB-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3S |
Nicorandil, 98+%
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 |
MES, Sodium Salt, Purified, J.T. Baker™
CAS: 71119-23-8 Molecular Formula: C6H12NNaO4S Molecular Weight (g/mol): 217.215 InChI Key: IRHWMYKYLWNHTL-UHFFFAOYSA-M Synonym: mes sodium salt,sodium 2-morpholinoethanesulfonate,2-n-morpholino ethanesulfonic acid sodium salt,4-morpholineethanesulfonic acid, sodium salt,sodium 4-morpholin-1-ylethylsulphonate,sodium 2-4-morpholinyl ethanesulfonate,mes-na,4-morpholineethanesulfonic acid sodium salt,sodium 4-morpholineethanesulfonate,4-morpholineethanesulfonic acid, sodium salt 1:1 PubChem CID: 23673676 ChEBI: CHEBI:62955 IUPAC Name: sodium;2-morpholin-4-ylethanesulfonate SMILES: C1COCCN1CCS(=O)(=O)[O-].[Na+]
| PubChem CID | 23673676 |
|---|---|
| CAS | 71119-23-8 |
| Molecular Weight (g/mol) | 217.215 |
| ChEBI | CHEBI:62955 |
| SMILES | C1COCCN1CCS(=O)(=O)[O-].[Na+] |
| Synonym | mes sodium salt,sodium 2-morpholinoethanesulfonate,2-n-morpholino ethanesulfonic acid sodium salt,4-morpholineethanesulfonic acid, sodium salt,sodium 4-morpholin-1-ylethylsulphonate,sodium 2-4-morpholinyl ethanesulfonate,mes-na,4-morpholineethanesulfonic acid sodium salt,sodium 4-morpholineethanesulfonate,4-morpholineethanesulfonic acid, sodium salt 1:1 |
| IUPAC Name | sodium;2-morpholin-4-ylethanesulfonate |
| InChI Key | IRHWMYKYLWNHTL-UHFFFAOYSA-M |
| Molecular Formula | C6H12NNaO4S |
Urea, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.056 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N Synonym: carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate PubChem CID: 1176 ChEBI: CHEBI:48376 IUPAC Name: urea SMILES: C(=O)(N)N
| PubChem CID | 1176 |
|---|---|
| CAS | 57-13-6 |
| Molecular Weight (g/mol) | 60.056 |
| ChEBI | CHEBI:48376 |
| SMILES | C(=O)(N)N |
| Synonym | carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate |
| IUPAC Name | urea |
| InChI Key | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |