Organic acids and derivatives
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1-Formylpiperazine, tech. 90
CAS: 7755-92-2 Molecular Formula: C5H11N2O Molecular Weight (g/mol): 115.16 MDL Number: MFCD00005963 InChI Key: MSSDTZLYNMFTKN-UHFFFAOYSA-O Synonym: 1-formylpiperazine,1-piperazinecarboxaldehyde,1-piperazinecarbaldehyde,formylpiperazine,n-formylpiperazine,1-formyl piperazine,piperazinecarbaldehyde,l-formylpiperazine,4-formylpiperazine,n-formyl piperazine PubChem CID: 82191 IUPAC Name: piperazine-1-carbaldehyde SMILES: O=CN1CC[NH2+]CC1
| PubChem CID | 82191 |
|---|---|
| CAS | 7755-92-2 |
| Molecular Weight (g/mol) | 115.16 |
| MDL Number | MFCD00005963 |
| SMILES | O=CN1CC[NH2+]CC1 |
| Synonym | 1-formylpiperazine,1-piperazinecarboxaldehyde,1-piperazinecarbaldehyde,formylpiperazine,n-formylpiperazine,1-formyl piperazine,piperazinecarbaldehyde,l-formylpiperazine,4-formylpiperazine,n-formyl piperazine |
| IUPAC Name | piperazine-1-carbaldehyde |
| InChI Key | MSSDTZLYNMFTKN-UHFFFAOYSA-O |
| Molecular Formula | C5H11N2O |
Ethyl 4-pentenoate, 98+%
CAS: 1968-40-7 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00036562 InChI Key: PTVSRINJXWDIKP-UHFFFAOYSA-N Synonym: ethyl 4-pentenoate,4-pentenoic acid ethyl ester,4-pentenoic acid, ethyl ester,ethyl pent-4-en-1-oate,unii-210um0f8jp,4-ethoxycarbonylbut-1-ene,pent-4-enoic acid ethyl ester,ethyl allylacetate,ethyl 4-pentenate,ethylpent-4-enoate PubChem CID: 74786 IUPAC Name: ethyl pent-4-enoate SMILES: CCOC(=O)CCC=C
| PubChem CID | 74786 |
|---|---|
| CAS | 1968-40-7 |
| Molecular Weight (g/mol) | 128.171 |
| MDL Number | MFCD00036562 |
| SMILES | CCOC(=O)CCC=C |
| Synonym | ethyl 4-pentenoate,4-pentenoic acid ethyl ester,4-pentenoic acid, ethyl ester,ethyl pent-4-en-1-oate,unii-210um0f8jp,4-ethoxycarbonylbut-1-ene,pent-4-enoic acid ethyl ester,ethyl allylacetate,ethyl 4-pentenate,ethylpent-4-enoate |
| IUPAC Name | ethyl pent-4-enoate |
| InChI Key | PTVSRINJXWDIKP-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Isethionic acid, sodium salt, 98%
CAS: 1562-00-1 Molecular Formula: C2H5NaO4S Molecular Weight (g/mol): 148.11 MDL Number: MFCD00007534 InChI Key: LADXKQRVAFSPTR-UHFFFAOYSA-M Synonym: sodium 2-hydroxyethanesulfonate,sodium isethionate,isethionic acid sodium salt,2-hydroxyethanesulfonic acid sodium salt,sodium hydroxyethylsulfonate,ethanesulfonic acid, 2-hydroxy-, monosodium salt,sodium 2-hydroxyethylsulfonate,sodium 2-hydroxyethanesulphonate,sodium beta-hydroxyethanesulfonate,sodium 1-hydroxy-2-ethanesulfonate PubChem CID: 517063 IUPAC Name: sodium;2-hydroxyethanesulfonate SMILES: C(CS(=O)(=O)[O-])O.[Na+]
| PubChem CID | 517063 |
|---|---|
| CAS | 1562-00-1 |
| Molecular Weight (g/mol) | 148.11 |
| MDL Number | MFCD00007534 |
| SMILES | C(CS(=O)(=O)[O-])O.[Na+] |
| Synonym | sodium 2-hydroxyethanesulfonate,sodium isethionate,isethionic acid sodium salt,2-hydroxyethanesulfonic acid sodium salt,sodium hydroxyethylsulfonate,ethanesulfonic acid, 2-hydroxy-, monosodium salt,sodium 2-hydroxyethylsulfonate,sodium 2-hydroxyethanesulphonate,sodium beta-hydroxyethanesulfonate,sodium 1-hydroxy-2-ethanesulfonate |
| IUPAC Name | sodium;2-hydroxyethanesulfonate |
| InChI Key | LADXKQRVAFSPTR-UHFFFAOYSA-M |
| Molecular Formula | C2H5NaO4S |
Decyl sodium sulfate, HPLC grade
CAS: 142-87-0 MDL Number: MFCD00041881 InChI Key: XZTJQQLJJCXOLP-UHFFFAOYSA-M Synonym: sodium decyl sulfate,sodium n-decyl sulfate,decyl sodium sulfate,sulfuric acid, monodecyl ester, sodium salt,sodium decyl sulphate,unii-al92m833sy,n-decyl sodium sulfate,sodium n-decylsulphate,sulfuric acid, monodecyl ester, sodium salt 1:1,sulfuric acid, decyl ester, sodium salt PubChem CID: 23665771 IUPAC Name: sodium;decyl sulfate SMILES: CCCCCCCCCCOS(=O)(=O)[O-].[Na+]
| PubChem CID | 23665771 |
|---|---|
| CAS | 142-87-0 |
| MDL Number | MFCD00041881 |
| SMILES | CCCCCCCCCCOS(=O)(=O)[O-].[Na+] |
| Synonym | sodium decyl sulfate,sodium n-decyl sulfate,decyl sodium sulfate,sulfuric acid, monodecyl ester, sodium salt,sodium decyl sulphate,unii-al92m833sy,n-decyl sodium sulfate,sodium n-decylsulphate,sulfuric acid, monodecyl ester, sodium salt 1:1,sulfuric acid, decyl ester, sodium salt |
| IUPAC Name | sodium;decyl sulfate |
| InChI Key | XZTJQQLJJCXOLP-UHFFFAOYSA-M |
Formic acid hydrazide, 98%
CAS: 624-84-0 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.056 MDL Number: MFCD00007589 InChI Key: XZBIXDPGRMLSTC-UHFFFAOYSA-N Synonym: formylhydrazine,formic acid hydrazide,formic hydrazide,hydrazinecarboxaldehyde,formhydrazide,n-formylhydrazine,carbazaldehyde,formylhydrazide,hydrazine, formyl,formal hydrazine PubChem CID: 12229 IUPAC Name: formohydrazide SMILES: C(=O)NN
| PubChem CID | 12229 |
|---|---|
| CAS | 624-84-0 |
| Molecular Weight (g/mol) | 60.056 |
| MDL Number | MFCD00007589 |
| SMILES | C(=O)NN |
| Synonym | formylhydrazine,formic acid hydrazide,formic hydrazide,hydrazinecarboxaldehyde,formhydrazide,n-formylhydrazine,carbazaldehyde,formylhydrazide,hydrazine, formyl,formal hydrazine |
| IUPAC Name | formohydrazide |
| InChI Key | XZBIXDPGRMLSTC-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |
2-Phenoxyacetamide, 98%
CAS: 621-88-5 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00017140 InChI Key: AOPRXJXHLWYPQR-UHFFFAOYSA-N Synonym: phenoxyacetamide,acetamide, 2-phenoxy,phenoxyacetic amide,alpha-phenoxyacetamide,2-phenoxyethanamide,2-phenoxy acetamide,pubchem12494,acmc-20ajx9,maybridge1_008727,po6 PubChem CID: 69314 IUPAC Name: 2-phenoxyacetamide SMILES: NC(=O)COC1=CC=CC=C1
| PubChem CID | 69314 |
|---|---|
| CAS | 621-88-5 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00017140 |
| SMILES | NC(=O)COC1=CC=CC=C1 |
| Synonym | phenoxyacetamide,acetamide, 2-phenoxy,phenoxyacetic amide,alpha-phenoxyacetamide,2-phenoxyethanamide,2-phenoxy acetamide,pubchem12494,acmc-20ajx9,maybridge1_008727,po6 |
| IUPAC Name | 2-phenoxyacetamide |
| InChI Key | AOPRXJXHLWYPQR-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Barium diphenylamine-4-sulfonate
CAS: 6211-24-1 Molecular Formula: C24H20BaN2O6S2 Molecular Weight (g/mol): 633.88 MDL Number: MFCD00007497 InChI Key: IVCNVXFNTKXMCA-UHFFFAOYSA-L Synonym: barium diphenylamine-4-sulfonate,barium diphenylaminesulfonate,benzenesulfonic acid, 4-phenylamino-, barium salt 2:1,barium bis 4-anilinobenzenesulphonate,barium diphenylamine sulfonate,n-phenylsufanilic acid barium,unii-ssj5f79159,diphenylamine-4-sulfonic acid barium salt,n-phenylsufanilic acid, barium salt,4-anilinobenzenesulfonate; barium 2+ PubChem CID: 80342 IUPAC Name: 4-anilinobenzenesulfonate;barium(2+) SMILES: [Ba++].[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1.[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 80342 |
|---|---|
| CAS | 6211-24-1 |
| Molecular Weight (g/mol) | 633.88 |
| MDL Number | MFCD00007497 |
| SMILES | [Ba++].[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1.[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1 |
| Synonym | barium diphenylamine-4-sulfonate,barium diphenylaminesulfonate,benzenesulfonic acid, 4-phenylamino-, barium salt 2:1,barium bis 4-anilinobenzenesulphonate,barium diphenylamine sulfonate,n-phenylsufanilic acid barium,unii-ssj5f79159,diphenylamine-4-sulfonic acid barium salt,n-phenylsufanilic acid, barium salt,4-anilinobenzenesulfonate; barium 2+ |
| IUPAC Name | 4-anilinobenzenesulfonate;barium(2+) |
| InChI Key | IVCNVXFNTKXMCA-UHFFFAOYSA-L |
| Molecular Formula | C24H20BaN2O6S2 |
N-(Ethoxycarbonyl)phthalimide, 97%
CAS: 22509-74-6 Molecular Formula: C11H9NO4 Molecular Weight (g/mol): 219.196 MDL Number: MFCD00005893 InChI Key: VRHAQNTWKSVEEC-UHFFFAOYSA-N Synonym: n-carbethoxyphthalimide,n-ethoxycarbonylphthalimide,n-carboethoxyphthalimide,phthalimide-n-carbethoxy,ethyl n-phthaloylcarbamate,n-ethoxycarbonyl phthalimide,2h-isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester,ethyl 1,3-dioxoisoindoline-2-carboxylate,n-karbetoksi-ftalimid,2-isoindolinecarboxylic acid, 1,3-dioxo-, ethyl ester PubChem CID: 31187 IUPAC Name: ethyl 1,3-dioxoisoindole-2-carboxylate SMILES: CCOC(=O)N1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 31187 |
|---|---|
| CAS | 22509-74-6 |
| Molecular Weight (g/mol) | 219.196 |
| MDL Number | MFCD00005893 |
| SMILES | CCOC(=O)N1C(=O)C2=CC=CC=C2C1=O |
| Synonym | n-carbethoxyphthalimide,n-ethoxycarbonylphthalimide,n-carboethoxyphthalimide,phthalimide-n-carbethoxy,ethyl n-phthaloylcarbamate,n-ethoxycarbonyl phthalimide,2h-isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester,ethyl 1,3-dioxoisoindoline-2-carboxylate,n-karbetoksi-ftalimid,2-isoindolinecarboxylic acid, 1,3-dioxo-, ethyl ester |
| IUPAC Name | ethyl 1,3-dioxoisoindole-2-carboxylate |
| InChI Key | VRHAQNTWKSVEEC-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO4 |
(+)-Diisopropyl L-tartrate, 97%
CAS: 2217-15-4 Molecular Formula: C10H18O6 Molecular Weight (g/mol): 234.248 MDL Number: MFCD00064450 InChI Key: XEBCWEDRGPSHQH-HTQZYQBOSA-N Synonym: +-diisopropyl l-tartrate,2r,3r-diisopropyl 2,3-dihydroxysuccinate,di-isopropyl tartrate,diisoprropyl-l-tartrate,+-dipt,l-+-tartaric acid diisopropyl ester,diisopropyl l-tartrate,l-+-diisopropyl-tartrate, l-dipt,butanedioic acid, 2,3-dihydroxy-, bis 1-methylethyl ester, r,r-+/-,1,4-diisopropyl 2r,3r-2,3-dihydroxybutanedioate PubChem CID: 6453580 IUPAC Name: dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate SMILES: CC(C)OC(=O)C(C(C(=O)OC(C)C)O)O
| PubChem CID | 6453580 |
|---|---|
| CAS | 2217-15-4 |
| Molecular Weight (g/mol) | 234.248 |
| MDL Number | MFCD00064450 |
| SMILES | CC(C)OC(=O)C(C(C(=O)OC(C)C)O)O |
| Synonym | +-diisopropyl l-tartrate,2r,3r-diisopropyl 2,3-dihydroxysuccinate,di-isopropyl tartrate,diisoprropyl-l-tartrate,+-dipt,l-+-tartaric acid diisopropyl ester,diisopropyl l-tartrate,l-+-diisopropyl-tartrate, l-dipt,butanedioic acid, 2,3-dihydroxy-, bis 1-methylethyl ester, r,r-+/-,1,4-diisopropyl 2r,3r-2,3-dihydroxybutanedioate |
| IUPAC Name | dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate |
| InChI Key | XEBCWEDRGPSHQH-HTQZYQBOSA-N |
| Molecular Formula | C10H18O6 |
Ethyl 3-methyl-1H-pyrazole-5-carboxylate, 97%
CAS: 4027-57-0 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00052514 InChI Key: BOTXQJAHRCGJEG-UHFFFAOYSA-N PubChem CID: 77645 IUPAC Name: ethyl 5-methyl-1H-pyrazole-3-carboxylate SMILES: CCOC(=O)C1=NNC(C)=C1
| PubChem CID | 77645 |
|---|---|
| CAS | 4027-57-0 |
| Molecular Weight (g/mol) | 154.17 |
| MDL Number | MFCD00052514 |
| SMILES | CCOC(=O)C1=NNC(C)=C1 |
| IUPAC Name | ethyl 5-methyl-1H-pyrazole-3-carboxylate |
| InChI Key | BOTXQJAHRCGJEG-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2 |
Sodium 1-butanesulfonate, 99%
CAS: 2386-54-1 Molecular Formula: C4H9NaO3S Molecular Weight (g/mol): 160.16 MDL Number: MFCD00007540 InChI Key: XQCHMGAOAWZUPI-UHFFFAOYSA-M Synonym: sodium 1-butanesulfonate,sodium butane-1-sulfonate,1-butanesulfonic acid sodium salt,sodium butylsulfonate,1-butanesulfonic acid, sodium salt,sodium butane-1-sulphonate,sodium butanesulfonate,ipc-alks-4,1-butanesulfonic acid, sodium salt 1:1,acmc-1cdot PubChem CID: 4096517 IUPAC Name: sodium;butane-1-sulfonate SMILES: [Na+].CCCCS([O-])(=O)=O
| PubChem CID | 4096517 |
|---|---|
| CAS | 2386-54-1 |
| Molecular Weight (g/mol) | 160.16 |
| MDL Number | MFCD00007540 |
| SMILES | [Na+].CCCCS([O-])(=O)=O |
| Synonym | sodium 1-butanesulfonate,sodium butane-1-sulfonate,1-butanesulfonic acid sodium salt,sodium butylsulfonate,1-butanesulfonic acid, sodium salt,sodium butane-1-sulphonate,sodium butanesulfonate,ipc-alks-4,1-butanesulfonic acid, sodium salt 1:1,acmc-1cdot |
| IUPAC Name | sodium;butane-1-sulfonate |
| InChI Key | XQCHMGAOAWZUPI-UHFFFAOYSA-M |
| Molecular Formula | C4H9NaO3S |
Ethyl valerate, 98%
CAS: 539-82-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009479 InChI Key: ICMAFTSLXCXHRK-UHFFFAOYSA-N Synonym: ethyl valerate,ethyl n-valerate,pentanoic acid, ethyl ester,valeric acid, ethyl ester,ethylvalerate,ethyl valerianate,pentanoic acid ethyl ester,n-valeric acid ethyl ester,valeric acid, ethyl ester 8ci,fema no. 2462 PubChem CID: 10882 IUPAC Name: ethyl pentanoate SMILES: CCCCC(=O)OCC
| PubChem CID | 10882 |
|---|---|
| CAS | 539-82-2 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00009479 |
| SMILES | CCCCC(=O)OCC |
| Synonym | ethyl valerate,ethyl n-valerate,pentanoic acid, ethyl ester,valeric acid, ethyl ester,ethylvalerate,ethyl valerianate,pentanoic acid ethyl ester,n-valeric acid ethyl ester,valeric acid, ethyl ester 8ci,fema no. 2462 |
| IUPAC Name | ethyl pentanoate |
| InChI Key | ICMAFTSLXCXHRK-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Isopropyl trifluoroacetate, 97%
CAS: 400-38-4 Molecular Formula: C5H7F3O2 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00013566 InChI Key: ASAXRKSDVDALDT-UHFFFAOYSA-N Synonym: isopropyl trifluoroacetate,isopropyltrifluoroacetate,isopropyl 2,2,2-trifluoroacetate,acetic acid, trifluoro-, 1-methylethyl ester,iso-propyl trifluoroacetate,trifluoroacetic acid isopropyl ester,pubchem12590,acmc-1ctsh,methylethyl 2,2,2-trifluoroacetate PubChem CID: 78998 IUPAC Name: propan-2-yl 2,2,2-trifluoroacetate SMILES: CC(C)OC(=O)C(F)(F)F
| PubChem CID | 78998 |
|---|---|
| CAS | 400-38-4 |
| Molecular Weight (g/mol) | 156.10 |
| MDL Number | MFCD00013566 |
| SMILES | CC(C)OC(=O)C(F)(F)F |
| Synonym | isopropyl trifluoroacetate,isopropyltrifluoroacetate,isopropyl 2,2,2-trifluoroacetate,acetic acid, trifluoro-, 1-methylethyl ester,iso-propyl trifluoroacetate,trifluoroacetic acid isopropyl ester,pubchem12590,acmc-1ctsh,methylethyl 2,2,2-trifluoroacetate |
| IUPAC Name | propan-2-yl 2,2,2-trifluoroacetate |
| InChI Key | ASAXRKSDVDALDT-UHFFFAOYSA-N |
| Molecular Formula | C5H7F3O2 |
Methyl thiophene-2-carboxylate, 97%
CAS: 5380-42-7 Molecular Formula: C6H6O2S Molecular Weight (g/mol): 142.17 MDL Number: MFCD00016895 InChI Key: PGBFYLVIMDQYMS-UHFFFAOYSA-N Synonym: methyl 2-thiophenecarboxylate,methyl thenoate,methylthiophene-2-carboxylate,2-thiophenecarboxylic acid methyl ester,2-carbomethoxy thiophene,2-thiophenecarboxylic acid, methyl ester,thiophenate methyl,2-methoxycarbonyl thiophene,methyl 2-thiophene carboxylate,thiophenate-methyl PubChem CID: 79340 IUPAC Name: methyl thiophene-2-carboxylate SMILES: COC(=O)C1=CC=CS1
| PubChem CID | 79340 |
|---|---|
| CAS | 5380-42-7 |
| Molecular Weight (g/mol) | 142.17 |
| MDL Number | MFCD00016895 |
| SMILES | COC(=O)C1=CC=CS1 |
| Synonym | methyl 2-thiophenecarboxylate,methyl thenoate,methylthiophene-2-carboxylate,2-thiophenecarboxylic acid methyl ester,2-carbomethoxy thiophene,2-thiophenecarboxylic acid, methyl ester,thiophenate methyl,2-methoxycarbonyl thiophene,methyl 2-thiophene carboxylate,thiophenate-methyl |
| IUPAC Name | methyl thiophene-2-carboxylate |
| InChI Key | PGBFYLVIMDQYMS-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2S |
Methyl pyruvate, 98%
CAS: 600-22-6 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.089 MDL Number: MFCD00008754 InChI Key: CWKLZLBVOJRSOM-UHFFFAOYSA-N Synonym: methyl pyruvate,pyruvic acid, methyl ester,pyruvic acid methyl ester,methyl 2-oxopropionate,propanoic acid, 2-oxo-, methyl ester,methyl-pyruvate,methylglyoxylic acid methyl ester,unii-3kjm65g5xl,3kjm65g5xl,2-oxo-propionic acid methyl ester PubChem CID: 11748 ChEBI: CHEBI:51850 IUPAC Name: methyl 2-oxopropanoate SMILES: CC(=O)C(=O)OC
| PubChem CID | 11748 |
|---|---|
| CAS | 600-22-6 |
| Molecular Weight (g/mol) | 102.089 |
| ChEBI | CHEBI:51850 |
| MDL Number | MFCD00008754 |
| SMILES | CC(=O)C(=O)OC |
| Synonym | methyl pyruvate,pyruvic acid, methyl ester,pyruvic acid methyl ester,methyl 2-oxopropionate,propanoic acid, 2-oxo-, methyl ester,methyl-pyruvate,methylglyoxylic acid methyl ester,unii-3kjm65g5xl,3kjm65g5xl,2-oxo-propionic acid methyl ester |
| IUPAC Name | methyl 2-oxopropanoate |
| InChI Key | CWKLZLBVOJRSOM-UHFFFAOYSA-N |
| Molecular Formula | C4H6O3 |