Carboxylic acids and derivatives
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Mercaptoacetic acid sodium salt, 97%
CAS: 367-51-1 Molecular Formula: C2H3NaO2S Molecular Weight (g/mol): 114.094 MDL Number: MFCD00043386 InChI Key: GNBVPFITFYNRCN-UHFFFAOYSA-M Synonym: sodium thioglycolate,sodium mercaptoacetate,mercaptoacetic acid sodium salt,mollescal sf,sodium 2-sulfanylacetate,thioglycolate sodium,sodium thioglycollate,mercaptoacetic acid, sodium salt,erhavit d,sodium 2-mercatoethanoate PubChem CID: 23690444 ChEBI: CHEBI:86481 IUPAC Name: sodium;2-sulfanylacetate SMILES: C(C(=O)[O-])S.[Na+]
| PubChem CID | 23690444 |
|---|---|
| CAS | 367-51-1 |
| Molecular Weight (g/mol) | 114.094 |
| ChEBI | CHEBI:86481 |
| MDL Number | MFCD00043386 |
| SMILES | C(C(=O)[O-])S.[Na+] |
| Synonym | sodium thioglycolate,sodium mercaptoacetate,mercaptoacetic acid sodium salt,mollescal sf,sodium 2-sulfanylacetate,thioglycolate sodium,sodium thioglycollate,mercaptoacetic acid, sodium salt,erhavit d,sodium 2-mercatoethanoate |
| IUPAC Name | sodium;2-sulfanylacetate |
| InChI Key | GNBVPFITFYNRCN-UHFFFAOYSA-M |
| Molecular Formula | C2H3NaO2S |
2-Mercaptopropionic acid, 95%
CAS: 79-42-5 Molecular Formula: C3H6O2S Molecular Weight (g/mol): 106.14 MDL Number: MFCD00004862 InChI Key: PMNLUUOXGOOLSP-UHFFFAOYNA-N Synonym: 2-mercaptopropionic acid,thiolactic acid,2-mercaptopropanoic acid,2-thiolactic acid,2-thiolpropionic acid,alpha-mercaptopropionic acid,alpha-mercaptopropanoic acid,propionic acid, 2-mercapto,propanoic acid, 2-mercapto,fema no. 3180 PubChem CID: 62326 ChEBI: CHEBI:47872 IUPAC Name: 2-sulfanylpropanoic acid SMILES: CC(S)C(O)=O
| PubChem CID | 62326 |
|---|---|
| CAS | 79-42-5 |
| Molecular Weight (g/mol) | 106.14 |
| ChEBI | CHEBI:47872 |
| MDL Number | MFCD00004862 |
| SMILES | CC(S)C(O)=O |
| Synonym | 2-mercaptopropionic acid,thiolactic acid,2-mercaptopropanoic acid,2-thiolactic acid,2-thiolpropionic acid,alpha-mercaptopropionic acid,alpha-mercaptopropanoic acid,propionic acid, 2-mercapto,propanoic acid, 2-mercapto,fema no. 3180 |
| IUPAC Name | 2-sulfanylpropanoic acid |
| InChI Key | PMNLUUOXGOOLSP-UHFFFAOYNA-N |
| Molecular Formula | C3H6O2S |
Ethyl carbazate, 97%
CAS: 4114-31-2 Molecular Formula: C3H8N2O2 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00007595 InChI Key: VYSYZMNJHYOXGN-UHFFFAOYSA-N Synonym: ethyl carbazate,ethyl hydrazinecarboxylate,ethoxycarbohydrazide,hydrazinecarboxylic acid, ethyl ester,carbethoxyhydrazine,ethylcarbazate,ethyl carbazinate,carboethoxyhydrazine,monocarbethoxyhydrazine,n-carbethoxy hydrazine PubChem CID: 20064 IUPAC Name: ethyl N-aminocarbamate SMILES: CCOC(=O)NN
| PubChem CID | 20064 |
|---|---|
| CAS | 4114-31-2 |
| Molecular Weight (g/mol) | 104.11 |
| MDL Number | MFCD00007595 |
| SMILES | CCOC(=O)NN |
| Synonym | ethyl carbazate,ethyl hydrazinecarboxylate,ethoxycarbohydrazide,hydrazinecarboxylic acid, ethyl ester,carbethoxyhydrazine,ethylcarbazate,ethyl carbazinate,carboethoxyhydrazine,monocarbethoxyhydrazine,n-carbethoxy hydrazine |
| IUPAC Name | ethyl N-aminocarbamate |
| InChI Key | VYSYZMNJHYOXGN-UHFFFAOYSA-N |
| Molecular Formula | C3H8N2O2 |
tert-Butyl carbazate, 98+%
CAS: 870-46-2 Molecular Formula: C5H12N2O2 Molecular Weight (g/mol): 132.163 MDL Number: MFCD00007593 InChI Key: DKACXUFSLUYRFU-UHFFFAOYSA-N Synonym: tert-butyl carbazate,tert-butyl hydrazinecarboxylate,t-butyl carbazate,hydrazinecarboxylic acid, 1,1-dimethylethyl ester,t-butylcarbazate,tert-butoxycarbonyl hydrazide,boc-hydrazide,boc-hydrazine,tert-butoxycarbonyl hydrazine,carbazic acid tert-butyl ester PubChem CID: 70091 IUPAC Name: tert-butyl N-aminocarbamate SMILES: CC(C)(C)OC(=O)NN
| PubChem CID | 70091 |
|---|---|
| CAS | 870-46-2 |
| Molecular Weight (g/mol) | 132.163 |
| MDL Number | MFCD00007593 |
| SMILES | CC(C)(C)OC(=O)NN |
| Synonym | tert-butyl carbazate,tert-butyl hydrazinecarboxylate,t-butyl carbazate,hydrazinecarboxylic acid, 1,1-dimethylethyl ester,t-butylcarbazate,tert-butoxycarbonyl hydrazide,boc-hydrazide,boc-hydrazine,tert-butoxycarbonyl hydrazine,carbazic acid tert-butyl ester |
| IUPAC Name | tert-butyl N-aminocarbamate |
| InChI Key | DKACXUFSLUYRFU-UHFFFAOYSA-N |
| Molecular Formula | C5H12N2O2 |
n-Propyl Alcohol, ACS, 99.5%, Spectrum™ Chemical
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CAS: 71-23-8 Molecular Formula: C3H8O Molecular Weight (g/mol): 60.10 InChI Key: BDERNNFJNOPAEC-UHFFFAOYSA-N IUPAC Name: propan-1-ol SMILES: CCCO
| CAS | 71-23-8 |
|---|---|
| Molecular Weight (g/mol) | 60.10 |
| SMILES | CCCO |
| IUPAC Name | propan-1-ol |
| InChI Key | BDERNNFJNOPAEC-UHFFFAOYSA-N |
| Molecular Formula | C3H8O |
Niacinamide, FCC, 98.5-101%, Spectrum™ Chemical
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CAS: 98-92-0 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.13 InChI Key: DFPAKSUCGFBDDF-UHFFFAOYSA-N IUPAC Name: pyridine-3-carboxamide SMILES: NC(=O)C1=CC=CN=C1
| CAS | 98-92-0 |
|---|---|
| Molecular Weight (g/mol) | 122.13 |
| SMILES | NC(=O)C1=CC=CN=C1 |
| IUPAC Name | pyridine-3-carboxamide |
| InChI Key | DFPAKSUCGFBDDF-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O |
Diethylenetriaminepentaacetic acid dianhydride, 95%
CAS: 23911-26-4 Molecular Formula: C14H19N3O8 Molecular Weight (g/mol): 357.319 MDL Number: MFCD00010697 InChI Key: RAZLJUXJEOEYAM-UHFFFAOYSA-N Synonym: dtpa-anhydride,cyclic dtpa anhydride,2-bis 2-2,6-dioxomorpholino ethyl amino acetic acid,unii-wnm9rlh5x9,wnm9rlh5x9,diethylenetriaminepentaacetic dianhydride,diethylenetriaminepentaacetic acid dianhydride,cdtpaa,glycine, n,n-bis 2-2,6-dioxo-4-morpholinyl ethyl,bis 2-2,6-dioxomorpholin-4-yl ethyl amino acetic acid PubChem CID: 100825 IUPAC Name: 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid SMILES: C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O
| PubChem CID | 100825 |
|---|---|
| CAS | 23911-26-4 |
| Molecular Weight (g/mol) | 357.319 |
| MDL Number | MFCD00010697 |
| SMILES | C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O |
| Synonym | dtpa-anhydride,cyclic dtpa anhydride,2-bis 2-2,6-dioxomorpholino ethyl amino acetic acid,unii-wnm9rlh5x9,wnm9rlh5x9,diethylenetriaminepentaacetic dianhydride,diethylenetriaminepentaacetic acid dianhydride,cdtpaa,glycine, n,n-bis 2-2,6-dioxo-4-morpholinyl ethyl,bis 2-2,6-dioxomorpholin-4-yl ethyl amino acetic acid |
| IUPAC Name | 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid |
| InChI Key | RAZLJUXJEOEYAM-UHFFFAOYSA-N |
| Molecular Formula | C14H19N3O8 |
4-Methylphenyl 2,3,4,6-tetra-O-acetyl-beta-D-thiogalactopyranoside, Thermo Scientific Chemicals
CAS: 28244-99-7 Molecular Formula: C21H26O9S Molecular Weight (g/mol): 454.49 MDL Number: MFCD09750783 InChI Key: XRFOIRMXQHXTRL-IFLJBQAJSA-N PubChem CID: 10366693 IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl acetate SMILES: CC1=CC=C(C=C1)SC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 10366693 |
|---|---|
| CAS | 28244-99-7 |
| Molecular Weight (g/mol) | 454.49 |
| MDL Number | MFCD09750783 |
| SMILES | CC1=CC=C(C=C1)SC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl acetate |
| InChI Key | XRFOIRMXQHXTRL-IFLJBQAJSA-N |
| Molecular Formula | C21H26O9S |
Ethyl N,N-dimethyloxamate, 98%
CAS: 16703-52-9 Molecular Formula: C6H11NO3 Molecular Weight (g/mol): 145.158 MDL Number: MFCD00015153 InChI Key: HMALWDVRMHVUAW-UHFFFAOYSA-N Synonym: ethyl n,n-dimethyloxamate,ethyl nn-dimethyloxamate,n,n-dimethyl ethyl oxamate,ethyl 2-dimethylamino-2-oxoacetate,acetic acid, dimethylamino oxo-, ethyl ester,ethyl dimethylcarbamoyl formate,oxamic acid, dimethyl-, ethyl ester,acetic acid, 2-dimethylamino-2-oxo-, ethyl ester,ethyl dimethylamino oxoacetate,aethyl-dimethyloxamat PubChem CID: 85553 IUPAC Name: ethyl 2-(dimethylamino)-2-oxoacetate SMILES: CCOC(=O)C(=O)N(C)C
| PubChem CID | 85553 |
|---|---|
| CAS | 16703-52-9 |
| Molecular Weight (g/mol) | 145.158 |
| MDL Number | MFCD00015153 |
| SMILES | CCOC(=O)C(=O)N(C)C |
| Synonym | ethyl n,n-dimethyloxamate,ethyl nn-dimethyloxamate,n,n-dimethyl ethyl oxamate,ethyl 2-dimethylamino-2-oxoacetate,acetic acid, dimethylamino oxo-, ethyl ester,ethyl dimethylcarbamoyl formate,oxamic acid, dimethyl-, ethyl ester,acetic acid, 2-dimethylamino-2-oxo-, ethyl ester,ethyl dimethylamino oxoacetate,aethyl-dimethyloxamat |
| IUPAC Name | ethyl 2-(dimethylamino)-2-oxoacetate |
| InChI Key | HMALWDVRMHVUAW-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO3 |
Phthalamide, 97%
CAS: 88-96-0 Molecular Formula: C8H8N2O2 Molecular Weight (g/mol): 164.164 MDL Number: MFCD00025478 InChI Key: NAYYNDKKHOIIOD-UHFFFAOYSA-N Synonym: phthalamide,1,2-benzenedicarboxamide,phthaldiamide,phthalic acid diamide,o-carbamoylbenzamide,o-phthalic acid diamide,o-phthalamide,phthalic diamide,ccris 518,unii-7b96053wrs PubChem CID: 6956 ChEBI: CHEBI:38799 IUPAC Name: benzene-1,2-dicarboxamide SMILES: C1=CC=C(C(=C1)C(=O)N)C(=O)N
| PubChem CID | 6956 |
|---|---|
| CAS | 88-96-0 |
| Molecular Weight (g/mol) | 164.164 |
| ChEBI | CHEBI:38799 |
| MDL Number | MFCD00025478 |
| SMILES | C1=CC=C(C(=C1)C(=O)N)C(=O)N |
| Synonym | phthalamide,1,2-benzenedicarboxamide,phthaldiamide,phthalic acid diamide,o-carbamoylbenzamide,o-phthalic acid diamide,o-phthalamide,phthalic diamide,ccris 518,unii-7b96053wrs |
| IUPAC Name | benzene-1,2-dicarboxamide |
| InChI Key | NAYYNDKKHOIIOD-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O2 |
Thermo Scientific Chemicals Thymolphthalexone
CAS: 1913-93-5 Molecular Formula: C38H44N2O12 Molecular Weight (g/mol): 720.77 MDL Number: MFCD00001619 InChI Key: AGXCADFSYJNMEG-UHFFFAOYNA-N Synonym: thymolphthalexone,thymolphthalein complexon,thymolphthalein complexone,thymolphthalexon,thymolphthalein-3,3'-bismethyliminodiacetic acid,3-1-3-bis carboxymethyl amino methyl-4-hydroxy-5-isopropyl-2-methylphenyl-3-oxo-2-benzofuran-1-yl-6-hydroxy-5-isopropyl-2-methylphenyl methyl carboxymethyl amino acetic acid,n,n'-3-oxo-1 3h-isobenzofuranylidene bis 6-hydroxy-2-methyl-5-1-methylethyl-3,1-phenylene methylene bis n-carboxymethyl glycine,thymophthalexon,3',3-bis n,n-di carboxymethyl aminomethyl thymolphthalein,2,2',2,2'-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl bis 6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene methylenenitrilo tetraacetic acid PubChem CID: 112918 IUPAC Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid SMILES: CC(C)C1=CC(=C(C)C(C[NH+](CC(O)=O)CC([O-])=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C(C)C)=C(O)C(C[NH+](CC(O)=O)CC([O-])=O)=C1C
| PubChem CID | 112918 |
|---|---|
| CAS | 1913-93-5 |
| Molecular Weight (g/mol) | 720.77 |
| MDL Number | MFCD00001619 |
| SMILES | CC(C)C1=CC(=C(C)C(C[NH+](CC(O)=O)CC([O-])=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C(C)C)=C(O)C(C[NH+](CC(O)=O)CC([O-])=O)=C1C |
| Synonym | thymolphthalexone,thymolphthalein complexon,thymolphthalein complexone,thymolphthalexon,thymolphthalein-3,3'-bismethyliminodiacetic acid,3-1-3-bis carboxymethyl amino methyl-4-hydroxy-5-isopropyl-2-methylphenyl-3-oxo-2-benzofuran-1-yl-6-hydroxy-5-isopropyl-2-methylphenyl methyl carboxymethyl amino acetic acid,n,n'-3-oxo-1 3h-isobenzofuranylidene bis 6-hydroxy-2-methyl-5-1-methylethyl-3,1-phenylene methylene bis n-carboxymethyl glycine,thymophthalexon,3',3-bis n,n-di carboxymethyl aminomethyl thymolphthalein,2,2',2,2'-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl bis 6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene methylenenitrilo tetraacetic acid |
| IUPAC Name | 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid |
| InChI Key | AGXCADFSYJNMEG-UHFFFAOYNA-N |
| Molecular Formula | C38H44N2O12 |
Thermo Scientific Chemicals 1,2,3,5-Tetra-O-acetyl-beta-L-ribofuranose, 98%
CAS: 144490-03-9 Molecular Formula: C13H18O9 Molecular Weight (g/mol): 318.278 MDL Number: MFCD00674547 InChI Key: IHNHAHWGVLXCCI-UMSGYPCISA-N Synonym: 1,2,3,5-tetra-o-acetyl-beta-l-ribofuranose,1,2,3,5-tetra-o-acetyl-b-l-ribofuranose,2s,3s,4s,5r-3,4,5-tris acetyloxy oxolan-2-yl methyl acetate,beta-l-ribofuranose 1,2,3,5-tetra-o-acetate,beta-l-ribofuranose tetraacetate,1,2,3,5-tetra-o-acetyl-?-l-ribofuranose,2s,3s,4s,5r-3,4,5-triacetyloxyoxolan-2-yl methyl acetate,2r,3s,4s,5s-5-acetoxymethyl tetrahydrofuran-2,3,4-triyl triacetate PubChem CID: 69431757 IUPAC Name: [(2S,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 69431757 |
|---|---|
| CAS | 144490-03-9 |
| Molecular Weight (g/mol) | 318.278 |
| MDL Number | MFCD00674547 |
| SMILES | CC(=O)OCC1C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C |
| Synonym | 1,2,3,5-tetra-o-acetyl-beta-l-ribofuranose,1,2,3,5-tetra-o-acetyl-b-l-ribofuranose,2s,3s,4s,5r-3,4,5-tris acetyloxy oxolan-2-yl methyl acetate,beta-l-ribofuranose 1,2,3,5-tetra-o-acetate,beta-l-ribofuranose tetraacetate,1,2,3,5-tetra-o-acetyl-?-l-ribofuranose,2s,3s,4s,5r-3,4,5-triacetyloxyoxolan-2-yl methyl acetate,2r,3s,4s,5s-5-acetoxymethyl tetrahydrofuran-2,3,4-triyl triacetate |
| IUPAC Name | [(2S,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate |
| InChI Key | IHNHAHWGVLXCCI-UMSGYPCISA-N |
| Molecular Formula | C13H18O9 |
5-Methylindole-2-carboxylic acid, 99%
CAS: 10241-97-1 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00047166 InChI Key: DAITVOCMWPNFTL-UHFFFAOYSA-N Synonym: 5-methylindole-2-carboxylic acid,5-methyl-2-indolecarboxylic acid,chembl23328,1h-indole-2-carboxylic acid, 5-methyl,acmc-1bxae,5-me-ica,daitvocmwpnftl-uhfffaoysa,5-methyl indole-2-carboxylic acid,1h-indole-2-carboxylicacid, 5-methyl,# PubChem CID: 259188 IUPAC Name: 5-methyl-1H-indole-2-carboxylic acid SMILES: CC1=CC=C2NC(=CC2=C1)C(O)=O
| PubChem CID | 259188 |
|---|---|
| CAS | 10241-97-1 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00047166 |
| SMILES | CC1=CC=C2NC(=CC2=C1)C(O)=O |
| Synonym | 5-methylindole-2-carboxylic acid,5-methyl-2-indolecarboxylic acid,chembl23328,1h-indole-2-carboxylic acid, 5-methyl,acmc-1bxae,5-me-ica,daitvocmwpnftl-uhfffaoysa,5-methyl indole-2-carboxylic acid,1h-indole-2-carboxylicacid, 5-methyl,# |
| IUPAC Name | 5-methyl-1H-indole-2-carboxylic acid |
| InChI Key | DAITVOCMWPNFTL-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
PESTANAL™ 3-(Methylphosphinico)propionic acid, MilliporeSigma™ Supelco™
3-(Methylphosphinico)propionic acid is a metabolite of the pesticide, glufosinate ammonium.
Isopropyl Acetate, Certified Reference Material, MilliporeSigma™ Supelco™
Pharmaceutical secondary standards for applications in quality control. Provides pharma laboratories and manufacturers with a convenient, cost-effective alternative to the preparation of in-house working standards.
| Boiling Point | 85°C to 91°C (literature) |
|---|---|
| Linear Formula | CH3COOCH(CH3)2 |
| Grade | Certified Reference Material |
| Vapor Pressure | 47 mmHg (20°C) |
| Vapor Density | 3.5 (vs air) |
| CAS | 108-21-4 |
| MDL Number | MFCD00008877 |
| Flash Point | 4°C (Not applicable) |
| Health Hazard 1 | H225 - H319 - H336 |
| Refractive Index | n20/D 1.377 (literature) |
| Synonym | Isopropyl Acetate; Acetic Acid Isopropyl Ester |
| Molecular Formula | C5H10O2 |
| Formula Weight | 102.13 |
| Melting Point | -73°C (literature) |