Organic acids and derivatives
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N-Octyl-N,N-dimethyl-3-ammonio-1-propanesulfonate, 98%
CAS: 15178-76-4 Molecular Formula: C13H29NO3S Molecular Weight (g/mol): 279.44 InChI Key: QZRAABPTWGFNIU-UHFFFAOYSA-N Synonym: octyl sulfobetaine,3-dimethyl-octylazaniumyl propane-1-sulfonate,n-octyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,3-n,n-dimethyloctylammonio propanesulfonate inner salt,3-dimethyl octyl ammonio propane-1-sulfonate,3-n,n-dimethyloctylammonio propanesulfonate solution,n-octyl-n,n-dimethyl-3-ammonio-1-propanesulfonate sb-8,n-octylsulfobetaine,zwittergent 3-08 PubChem CID: 3084219 IUPAC Name: 3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate SMILES: CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
| PubChem CID | 3084219 |
|---|---|
| CAS | 15178-76-4 |
| Molecular Weight (g/mol) | 279.44 |
| SMILES | CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
| Synonym | octyl sulfobetaine,3-dimethyl-octylazaniumyl propane-1-sulfonate,n-octyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,3-n,n-dimethyloctylammonio propanesulfonate inner salt,3-dimethyl octyl ammonio propane-1-sulfonate,3-n,n-dimethyloctylammonio propanesulfonate solution,n-octyl-n,n-dimethyl-3-ammonio-1-propanesulfonate sb-8,n-octylsulfobetaine,zwittergent 3-08 |
| IUPAC Name | 3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate |
| InChI Key | QZRAABPTWGFNIU-UHFFFAOYSA-N |
| Molecular Formula | C13H29NO3S |
N-Decyl-N,N-dimethyl-3-ammonio-1-propanesulfonate, 98%
CAS: 15163-36-7 Molecular Formula: C15H33NO3S Molecular Weight (g/mol): 307.49 MDL Number: MFCD00036908 InChI Key: WKALLSVICJPZTM-UHFFFAOYSA-N Synonym: 3-decyldimethylammonio propane-1-sulfonate,n-decyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,sulfobetaine 10,caprylyl sulfobetaine,3-decyldimethylammonio propanesulfonate,zwittergent 3-10 detergent,capryl sultaine,zwittergent 310,3-decyl dimethyl ammonio propane-1-sulfonate,3-decyldimethylamino propanesulfonic acid PubChem CID: 161111 IUPAC Name: 3-[decyl(dimethyl)azaniumyl]propane-1-sulfonate SMILES: CCCCCCCCCC[N+](C)(C)CCCS([O-])(=O)=O
| PubChem CID | 161111 |
|---|---|
| CAS | 15163-36-7 |
| Molecular Weight (g/mol) | 307.49 |
| MDL Number | MFCD00036908 |
| SMILES | CCCCCCCCCC[N+](C)(C)CCCS([O-])(=O)=O |
| Synonym | 3-decyldimethylammonio propane-1-sulfonate,n-decyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,sulfobetaine 10,caprylyl sulfobetaine,3-decyldimethylammonio propanesulfonate,zwittergent 3-10 detergent,capryl sultaine,zwittergent 310,3-decyl dimethyl ammonio propane-1-sulfonate,3-decyldimethylamino propanesulfonic acid |
| IUPAC Name | 3-[decyl(dimethyl)azaniumyl]propane-1-sulfonate |
| InChI Key | WKALLSVICJPZTM-UHFFFAOYSA-N |
| Molecular Formula | C15H33NO3S |
5-Pyrimidinylboronic acid, 97%, may contain varying amounts of anhydride, Thermo Scientific Chemicals
CAS: 109299-78-7 Molecular Formula: C4H5BN2O2 Molecular Weight (g/mol): 123.91 MDL Number: MFCD03002366 InChI Key: HZFPPBMKGYINDF-UHFFFAOYSA-N Synonym: 5-pyrimidinylboronic acid,pyrimidine-5-boronic acid,5-pyrimidineboronic acid,5-pyrimidylboronic acid,pyrimidin-5-yl boronic acid,5-pyrimidine boronic acid,pyrimidinyl-5-boronic acid,pyrimidine-5-ylboronic acid,pyrimidin-5-yl-5-boronic acid,pyrimidin-5-boronic acid PubChem CID: 2795193 IUPAC Name: pyrimidin-5-ylboronic acid SMILES: OB(O)C1=CN=CN=C1
| PubChem CID | 2795193 |
|---|---|
| CAS | 109299-78-7 |
| Molecular Weight (g/mol) | 123.91 |
| MDL Number | MFCD03002366 |
| SMILES | OB(O)C1=CN=CN=C1 |
| Synonym | 5-pyrimidinylboronic acid,pyrimidine-5-boronic acid,5-pyrimidineboronic acid,5-pyrimidylboronic acid,pyrimidin-5-yl boronic acid,5-pyrimidine boronic acid,pyrimidinyl-5-boronic acid,pyrimidine-5-ylboronic acid,pyrimidin-5-yl-5-boronic acid,pyrimidin-5-boronic acid |
| IUPAC Name | pyrimidin-5-ylboronic acid |
| InChI Key | HZFPPBMKGYINDF-UHFFFAOYSA-N |
| Molecular Formula | C4H5BN2O2 |
Thermo Scientific Chemicals Kartogenin
CAS: 4727-31-5 Molecular Formula: C20H15NO3 Molecular Weight (g/mol): 317.34 InChI Key: SLUINPGXGFUMLL-UHFFFAOYSA-N IUPAC Name: 2-({[1,1'-biphenyl]-4-yl}carbamoyl)benzoic acid SMILES: OC(=O)C1=CC=CC=C1C(=O)NC1=CC=C(C=C1)C1=CC=CC=C1
| CAS | 4727-31-5 |
|---|---|
| Molecular Weight (g/mol) | 317.34 |
| SMILES | OC(=O)C1=CC=CC=C1C(=O)NC1=CC=C(C=C1)C1=CC=CC=C1 |
| IUPAC Name | 2-({[1,1'-biphenyl]-4-yl}carbamoyl)benzoic acid |
| InChI Key | SLUINPGXGFUMLL-UHFFFAOYSA-N |
| Molecular Formula | C20H15NO3 |
Di-n-butyl carbonate
CAS: 542-52-9 Molecular Formula: C9H18O3 Molecular Weight (g/mol): 174.24 InChI Key: QLVWOKQMDLQXNN-UHFFFAOYSA-N IUPAC Name: dibutyl carbonate SMILES: CCCCOC(=O)OCCCC
| CAS | 542-52-9 |
|---|---|
| Molecular Weight (g/mol) | 174.24 |
| SMILES | CCCCOC(=O)OCCCC |
| IUPAC Name | dibutyl carbonate |
| InChI Key | QLVWOKQMDLQXNN-UHFFFAOYSA-N |
| Molecular Formula | C9H18O3 |
2-Pyridinesulfonic acid, 97%, Thermo Scientific Chemicals
CAS: 15103-48-7 Molecular Formula: C5H5NO3S Molecular Weight (g/mol): 159.16 MDL Number: MFCD00234080 InChI Key: KZVLNAGYSAKYMG-UHFFFAOYSA-N Synonym: 2-pyridinesulfonic acid,pyridinesulfonic acid,2-pyridinesulfonic acid 8ci 9ci,alpha-pyridinesulfonic acid,sulfopyridin,pyridine-2-sulfonicacid,acmc-1bo1h,.alpha.-pyridinesulfonic acid,kzvlnagysakymg-uhfffaoysa PubChem CID: 94849 IUPAC Name: pyridine-2-sulfonic acid SMILES: OS(=O)(=O)C1=CC=CC=N1
| PubChem CID | 94849 |
|---|---|
| CAS | 15103-48-7 |
| Molecular Weight (g/mol) | 159.16 |
| MDL Number | MFCD00234080 |
| SMILES | OS(=O)(=O)C1=CC=CC=N1 |
| Synonym | 2-pyridinesulfonic acid,pyridinesulfonic acid,2-pyridinesulfonic acid 8ci 9ci,alpha-pyridinesulfonic acid,sulfopyridin,pyridine-2-sulfonicacid,acmc-1bo1h,.alpha.-pyridinesulfonic acid,kzvlnagysakymg-uhfffaoysa |
| IUPAC Name | pyridine-2-sulfonic acid |
| InChI Key | KZVLNAGYSAKYMG-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO3S |
2'-Bromoacetanilide, 96%
CAS: 614-76-6 Molecular Formula: C8H8BrNO Molecular Weight (g/mol): 214.06 MDL Number: MFCD00099252 InChI Key: VOBKUOHHOWQHFZ-UHFFFAOYSA-N Synonym: n-2-bromophenyl acetamide,2'-bromoacetanilide,o-bromoacetanilide,acetamide, n-2-bromophenyl,acetanilide, 2'-bromo,n-2-bromo-phenyl-acetamide,ortho-bromoacetanilide,2/'-bromoacetanilide,acmc-209msx,2-bromo-n-acetylaniline PubChem CID: 136416 IUPAC Name: N-(2-bromophenyl)acetamide SMILES: CC(=O)NC1=CC=CC=C1Br
| PubChem CID | 136416 |
|---|---|
| CAS | 614-76-6 |
| Molecular Weight (g/mol) | 214.06 |
| MDL Number | MFCD00099252 |
| SMILES | CC(=O)NC1=CC=CC=C1Br |
| Synonym | n-2-bromophenyl acetamide,2'-bromoacetanilide,o-bromoacetanilide,acetamide, n-2-bromophenyl,acetanilide, 2'-bromo,n-2-bromo-phenyl-acetamide,ortho-bromoacetanilide,2/'-bromoacetanilide,acmc-209msx,2-bromo-n-acetylaniline |
| IUPAC Name | N-(2-bromophenyl)acetamide |
| InChI Key | VOBKUOHHOWQHFZ-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrNO |
1-Hexanesulfonic acid, sodium salt hydrate, 98%, HPLC grade
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 |
Citric acid monohydrate, technical, crystalline
CAS: 5949-29-1 Molecular Formula: C6H8O7·H2O Molecular Weight (g/mol): 210.15 InChI Key: YASYEJJMZJALEJ-UHFFFAOYSA-N Synonym: citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp PubChem CID: 22230 ChEBI: CHEBI:31404 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
| PubChem CID | 22230 |
|---|---|
| CAS | 5949-29-1 |
| Molecular Weight (g/mol) | 210.15 |
| ChEBI | CHEBI:31404 |
| SMILES | C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O |
| Synonym | citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate |
| InChI Key | YASYEJJMZJALEJ-UHFFFAOYSA-N |
| Molecular Formula | C6H8O7·H2O |
Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 99%, Thermo Scientific™
CAS: 4506-71-2 InChI Key: CDYVTVLXEWMCHU-UHFFFAOYSA-N PubChem CID: 78262 IUPAC Name: ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)N
| PubChem CID | 78262 |
|---|---|
| CAS | 4506-71-2 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)N |
| IUPAC Name | ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| InChI Key | CDYVTVLXEWMCHU-UHFFFAOYSA-N |
(R)-(-)-Glycidyl nosylate, 98%
CAS: 115314-17-5 Molecular Formula: C9H9NO6S Molecular Weight (g/mol): 259.23 MDL Number: MFCD00013436 InChI Key: AIHIHVZYAAMDPM-MRVPVSSYSA-N Synonym: r---glycidyl nosylate,r-glycidyl nosylate,r-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,r-glycidyl 3-nitrobenzenesulfonate,r---glycidyl 3-nitrobenzenesulfonate,r---glycidyl-3-nitrobenzenesulfonate,ccris 6393,oxiranylmethyl r-3-nitrobenzenesulfonate,benzenesulfonic acid, 3-nitro-, oxiranylmethyl ester, r PubChem CID: 146513 IUPAC Name: [(2R)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate SMILES: C1C(O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
| PubChem CID | 146513 |
|---|---|
| CAS | 115314-17-5 |
| Molecular Weight (g/mol) | 259.23 |
| MDL Number | MFCD00013436 |
| SMILES | C1C(O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
| Synonym | r---glycidyl nosylate,r-glycidyl nosylate,r-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,r-glycidyl 3-nitrobenzenesulfonate,r---glycidyl 3-nitrobenzenesulfonate,r---glycidyl-3-nitrobenzenesulfonate,ccris 6393,oxiranylmethyl r-3-nitrobenzenesulfonate,benzenesulfonic acid, 3-nitro-, oxiranylmethyl ester, r |
| IUPAC Name | [(2R)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate |
| InChI Key | AIHIHVZYAAMDPM-MRVPVSSYSA-N |
| Molecular Formula | C9H9NO6S |
N-Methylphthalimide, 98%
CAS: 550-44-7 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 InChI Key: ZXLYYQUMYFHCLQ-UHFFFAOYSA-N Synonym: n-methylphthalimide,2-methylisoindoline-1,3-dione,phthalimide, n-methyl,1h-isoindole-1,3 2h-dione, 2-methyl,unii-647up45j2u,2-methyl-1h-isoindole-1,3 2h-dione,n-methyl phthalimide,dsstox_cid_7198,acmc-1b11u PubChem CID: 11074 IUPAC Name: 2-methylisoindole-1,3-dione SMILES: CN1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 11074 |
|---|---|
| CAS | 550-44-7 |
| Molecular Weight (g/mol) | 161.16 |
| SMILES | CN1C(=O)C2=CC=CC=C2C1=O |
| Synonym | n-methylphthalimide,2-methylisoindoline-1,3-dione,phthalimide, n-methyl,1h-isoindole-1,3 2h-dione, 2-methyl,unii-647up45j2u,2-methyl-1h-isoindole-1,3 2h-dione,n-methyl phthalimide,dsstox_cid_7198,acmc-1b11u |
| IUPAC Name | 2-methylisoindole-1,3-dione |
| InChI Key | ZXLYYQUMYFHCLQ-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
Diethyl (3,3-diethoxypropyl)phosphonate, 95%, stabilized with max. 1% w/w Na2CO3
CAS: 15110-17-5 Molecular Formula: C11H25O5P Molecular Weight (g/mol): 268.29 MDL Number: MFCD00800259 InChI Key: WKPXMGJOGYEGNW-UHFFFAOYSA-N Synonym: diethyl 3,3-diethoxypropyl phosphonate,diethyl 3,3-diethoxypropylphosphonate,phosphonic acid, p-3,3-diethoxypropyl-, diethyl ester,3-diethoxyphosphoryl-1,1-diethoxy-propane,3-diethoxyphosphoryl propanaldehyde diethyl acetal,phosphonic acid,p-3,3-diethoxypropyl-, diethyl ester PubChem CID: 328856 IUPAC Name: 3-diethoxyphosphoryl-1,1-diethoxypropane SMILES: CCOC(CCP(=O)(OCC)OCC)OCC
| PubChem CID | 328856 |
|---|---|
| CAS | 15110-17-5 |
| Molecular Weight (g/mol) | 268.29 |
| MDL Number | MFCD00800259 |
| SMILES | CCOC(CCP(=O)(OCC)OCC)OCC |
| Synonym | diethyl 3,3-diethoxypropyl phosphonate,diethyl 3,3-diethoxypropylphosphonate,phosphonic acid, p-3,3-diethoxypropyl-, diethyl ester,3-diethoxyphosphoryl-1,1-diethoxy-propane,3-diethoxyphosphoryl propanaldehyde diethyl acetal,phosphonic acid,p-3,3-diethoxypropyl-, diethyl ester |
| IUPAC Name | 3-diethoxyphosphoryl-1,1-diethoxypropane |
| InChI Key | WKPXMGJOGYEGNW-UHFFFAOYSA-N |
| Molecular Formula | C11H25O5P |
Diethyl (chloromethyl)phosphonate, 98%, Thermo Scientific Chemicals
CAS: 3167-63-3 Molecular Formula: C5H12ClO3P Molecular Weight (g/mol): 186.57 MDL Number: MFCD00010189 InChI Key: MZBIWKMCTWJLPT-UHFFFAOYSA-N Synonym: diethyl chloromethyl phosphonate,diethyl chloromethylphosphonate,diethyl chloromethanephosphonate,phosphonic acid, chloromethyl-, diethyl ester,chloromethylphosphonic acid diethyl ester,phosphonic acid, p-chloromethyl-, diethyl ester,chloromethyl phosphonic acid diethyl ester,1-chloromethyl ethoxy phosphoryl oxyethane,acmc-1cq3s PubChem CID: 76633 IUPAC Name: 1-[chloromethyl(ethoxy)phosphoryl]oxyethane SMILES: CCOP(=O)(CCl)OCC
| PubChem CID | 76633 |
|---|---|
| CAS | 3167-63-3 |
| Molecular Weight (g/mol) | 186.57 |
| MDL Number | MFCD00010189 |
| SMILES | CCOP(=O)(CCl)OCC |
| Synonym | diethyl chloromethyl phosphonate,diethyl chloromethylphosphonate,diethyl chloromethanephosphonate,phosphonic acid, chloromethyl-, diethyl ester,chloromethylphosphonic acid diethyl ester,phosphonic acid, p-chloromethyl-, diethyl ester,chloromethyl phosphonic acid diethyl ester,1-chloromethyl ethoxy phosphoryl oxyethane,acmc-1cq3s |
| IUPAC Name | 1-[chloromethyl(ethoxy)phosphoryl]oxyethane |
| InChI Key | MZBIWKMCTWJLPT-UHFFFAOYSA-N |
| Molecular Formula | C5H12ClO3P |
Methyl 2,6-dichlorophenylacetate, 99%
CAS: 54551-83-6 Molecular Formula: C9H8Cl2O2 Molecular Weight (g/mol): 219.07 MDL Number: MFCD00191640 InChI Key: FCWRUYPZZJPCCG-UHFFFAOYSA-N Synonym: methyl 2,6-dichlorophenylacetate,methyl 2-2,6-dichlorophenyl acetate,2,6-dichlorophenylacetic acid methyl ester,benzeneacetic acid,2,6-dichloro-, methyl ester,benzeneacetic acid, 2,6-dichloro-, methyl ester,acmc-209lhf,methyl2,6-dichlorophenylacetate,guanfacine methyl ester impurity,methyl 2,6-dichlorophenyl acetate,2,6-dichloro-phenylacetic acid methyl ester PubChem CID: 2734107 IUPAC Name: methyl 2-(2,6-dichlorophenyl)acetate SMILES: COC(=O)CC1=C(C=CC=C1Cl)Cl
| PubChem CID | 2734107 |
|---|---|
| CAS | 54551-83-6 |
| Molecular Weight (g/mol) | 219.07 |
| MDL Number | MFCD00191640 |
| SMILES | COC(=O)CC1=C(C=CC=C1Cl)Cl |
| Synonym | methyl 2,6-dichlorophenylacetate,methyl 2-2,6-dichlorophenyl acetate,2,6-dichlorophenylacetic acid methyl ester,benzeneacetic acid,2,6-dichloro-, methyl ester,benzeneacetic acid, 2,6-dichloro-, methyl ester,acmc-209lhf,methyl2,6-dichlorophenylacetate,guanfacine methyl ester impurity,methyl 2,6-dichlorophenyl acetate,2,6-dichloro-phenylacetic acid methyl ester |
| IUPAC Name | methyl 2-(2,6-dichlorophenyl)acetate |
| InChI Key | FCWRUYPZZJPCCG-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2O2 |