Organic acids and derivatives
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2-Cyanoacetamide, 99%
CAS: 107-91-5 Molecular Formula: C3H4N2O Molecular Weight (g/mol): 84.08 MDL Number: MFCD00008024 InChI Key: DGJMPUGMZIKDRO-UHFFFAOYSA-N Synonym: cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 PubChem CID: 7898 IUPAC Name: 2-cyanoacetamide SMILES: NC(=O)CC#N
| PubChem CID | 7898 |
|---|---|
| CAS | 107-91-5 |
| Molecular Weight (g/mol) | 84.08 |
| MDL Number | MFCD00008024 |
| SMILES | NC(=O)CC#N |
| Synonym | cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 |
| IUPAC Name | 2-cyanoacetamide |
| InChI Key | DGJMPUGMZIKDRO-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2O |
COMU™, 97%
CAS: 1075198-30-9 Molecular Formula: C12H19F6N4O4P Molecular Weight (g/mol): 428.27 MDL Number: MFCD11975052 MFCD24368564 MFCD11975052 InChI Key: GPDHNZNLPKYHCN-UHFFFAOYSA-N Synonym: comu,1-cyano-2-ethoxy-2-oxoethylidenaminooxy dim,1-cyano-2-ethoxy-2-oxoethylidenaminooxy dimethylamino-morpholinocarbenium hexafluorophosphate,1-cyano-2-ethoxy-2-oxoethylideneaminooxy-dimethylamino-morpholino-carbenium hexafluorophosphate,z-1-cyano-2-ethoxy-2-oxoethylidene amino oxy-n,n-dimethyl morpholin-4-yl methaniminium hexafluorophosphate,4-e-1-cyano-2-ethoxy-2-oxoethylidene amino oxidanyl dimethylamino methylidene-4??-morpholin-4-ylium hexafluorophosphate PubChem CID: 44471148 IUPAC Name: [[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium;hexafluorophosphate SMILES: F[P-](F)(F)(F)(F)F.CCOC(=O)C(=NOC(N1CCOCC1)=[N+](C)C)C#N
| PubChem CID | 44471148 |
|---|---|
| CAS | 1075198-30-9 |
| Molecular Weight (g/mol) | 428.27 |
| MDL Number | MFCD11975052 MFCD24368564 MFCD11975052 |
| SMILES | F[P-](F)(F)(F)(F)F.CCOC(=O)C(=NOC(N1CCOCC1)=[N+](C)C)C#N |
| Synonym | comu,1-cyano-2-ethoxy-2-oxoethylidenaminooxy dim,1-cyano-2-ethoxy-2-oxoethylidenaminooxy dimethylamino-morpholinocarbenium hexafluorophosphate,1-cyano-2-ethoxy-2-oxoethylideneaminooxy-dimethylamino-morpholino-carbenium hexafluorophosphate,z-1-cyano-2-ethoxy-2-oxoethylidene amino oxy-n,n-dimethyl morpholin-4-yl methaniminium hexafluorophosphate,4-e-1-cyano-2-ethoxy-2-oxoethylidene amino oxidanyl dimethylamino methylidene-4??-morpholin-4-ylium hexafluorophosphate |
| IUPAC Name | [[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium;hexafluorophosphate |
| InChI Key | GPDHNZNLPKYHCN-UHFFFAOYSA-N |
| Molecular Formula | C12H19F6N4O4P |
n-Butyl acetate, 99+%, for spectroscopy
CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O
| PubChem CID | 31272 |
|---|---|
| CAS | 123-86-4 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:31328 |
| MDL Number | MFCD00009445 |
| SMILES | CCCCOC(C)=O |
| Synonym | n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle |
| IUPAC Name | butyl acetate |
| InChI Key | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Glycine anhydride, 98%
CAS: 106-57-0 Molecular Formula: C4H6N2O2 Molecular Weight (g/mol): 114.1 MDL Number: MFCD00006009 InChI Key: BXRNXXXXHLBUKK-UHFFFAOYSA-N Synonym: 2,5-piperazinedione,2,5-dioxopiperazine,2,5-diketopiperazine,cyclodiglycine,cycloglycylglycine,cyclo glycylglycyl,glycylglycine lactam,diglycolyl diamide,glycine, bimol. cyclic peptide,alpha,gamma-diacipiperazine PubChem CID: 7817 ChEBI: CHEBI:16535 IUPAC Name: piperazine-2,5-dione SMILES: C1C(=O)NCC(=O)N1
| PubChem CID | 7817 |
|---|---|
| CAS | 106-57-0 |
| Molecular Weight (g/mol) | 114.1 |
| ChEBI | CHEBI:16535 |
| MDL Number | MFCD00006009 |
| SMILES | C1C(=O)NCC(=O)N1 |
| Synonym | 2,5-piperazinedione,2,5-dioxopiperazine,2,5-diketopiperazine,cyclodiglycine,cycloglycylglycine,cyclo glycylglycyl,glycylglycine lactam,diglycolyl diamide,glycine, bimol. cyclic peptide,alpha,gamma-diacipiperazine |
| IUPAC Name | piperazine-2,5-dione |
| InChI Key | BXRNXXXXHLBUKK-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2O2 |
1-Heptanesulfonic Acid, Sodium Salt, Monohydrate, HPLC Grade, 99% min., MilliporeSigma™
CAS: 22767-50-6 Molecular Formula: C7H15NaO3S InChI Key: REFMEZARFCPESH-UHFFFAOYSA-M
| CAS | 22767-50-6 |
|---|---|
| InChI Key | REFMEZARFCPESH-UHFFFAOYSA-M |
| Molecular Formula | C7H15NaO3S |
Oxamide, 98+%
CAS: 471-46-5 Molecular Formula: C2H4N2O2 Molecular Weight (g/mol): 88.066 MDL Number: MFCD00008007 InChI Key: YIKSCQDJHCMVMK-UHFFFAOYSA-N Synonym: ethanediamide,oxalamide,oxamimidic acid,oxalic acid diamide,diaminoglyoxal,oxamid,amid kyseliny stavelove,formimidic acid, 1-carbamoyl,oxamid czech,unii-sbe4m0223e PubChem CID: 10113 ChEBI: CHEBI:48248 IUPAC Name: oxamide SMILES: C(=O)(C(=O)N)N
| PubChem CID | 10113 |
|---|---|
| CAS | 471-46-5 |
| Molecular Weight (g/mol) | 88.066 |
| ChEBI | CHEBI:48248 |
| MDL Number | MFCD00008007 |
| SMILES | C(=O)(C(=O)N)N |
| Synonym | ethanediamide,oxalamide,oxamimidic acid,oxalic acid diamide,diaminoglyoxal,oxamid,amid kyseliny stavelove,formimidic acid, 1-carbamoyl,oxamid czech,unii-sbe4m0223e |
| IUPAC Name | oxamide |
| InChI Key | YIKSCQDJHCMVMK-UHFFFAOYSA-N |
| Molecular Formula | C2H4N2O2 |
Triphenyl Phosphate 99.0+%, TCI America™
CAS: 115-86-6 Molecular Formula: C18H15O4P Molecular Weight (g/mol): 326.29 MDL Number: MFCD00003031 InChI Key: XZZNDPSIHUTMOC-UHFFFAOYSA-N Synonym: triphenylphosphate,phosphoric acid, triphenyl ester,disflamoll tp,triphenoxyphosphine oxide,celluflex tpp,phosflex tpp,trifenylfosfat,phenyl phosphate pho 3po,phosphoric acid triphenyl ester,trifenylfosfat czech PubChem CID: 8289 ChEBI: CHEBI:35033 IUPAC Name: triphenyl phosphate SMILES: O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1
| PubChem CID | 8289 |
|---|---|
| CAS | 115-86-6 |
| Molecular Weight (g/mol) | 326.29 |
| ChEBI | CHEBI:35033 |
| MDL Number | MFCD00003031 |
| SMILES | O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 |
| Synonym | triphenylphosphate,phosphoric acid, triphenyl ester,disflamoll tp,triphenoxyphosphine oxide,celluflex tpp,phosflex tpp,trifenylfosfat,phenyl phosphate pho 3po,phosphoric acid triphenyl ester,trifenylfosfat czech |
| IUPAC Name | triphenyl phosphate |
| InChI Key | XZZNDPSIHUTMOC-UHFFFAOYSA-N |
| Molecular Formula | C18H15O4P |
4-Methylvaleric acid, 99%
CAS: 646-07-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.15 MDL Number: MFCD00002803 InChI Key: FGKJLKRYENPLQH-UHFFFAOYSA-N Synonym: 4-methylvaleric acid,isocaproic acid,isohexanoic acid,pentanoic acid, 4-methyl,isobutylacetic acid,4-methyl-pentanoic acid,valeric acid, 4-methyl,4-methyl valeric acid,isocaproate,4,4-dimethylbutanoic acid PubChem CID: 12587 ChEBI: CHEBI:74903 IUPAC Name: 4-methylpentanoic acid SMILES: CC(C)CCC(=O)O
| PubChem CID | 12587 |
|---|---|
| CAS | 646-07-1 |
| Molecular Weight (g/mol) | 116.15 |
| ChEBI | CHEBI:74903 |
| MDL Number | MFCD00002803 |
| SMILES | CC(C)CCC(=O)O |
| Synonym | 4-methylvaleric acid,isocaproic acid,isohexanoic acid,pentanoic acid, 4-methyl,isobutylacetic acid,4-methyl-pentanoic acid,valeric acid, 4-methyl,4-methyl valeric acid,isocaproate,4,4-dimethylbutanoic acid |
| IUPAC Name | 4-methylpentanoic acid |
| InChI Key | FGKJLKRYENPLQH-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Phenazine ethosulfate, ∽95%, MP Biomedicals™
CAS: 10510-77-7 Molecular Formula: C16H18N2O4S Molecular Weight (g/mol): 334.39 MDL Number: MFCD00050286 InChI Key: VDJKJPMLWJWQIH-UHFFFAOYSA-M Synonym: phenazine ethosulfate,5-ethylphenazine,n-ethylphenazonium ethosulfate,5-ethylphenazinium ethyl sulphate,5-ethylphenazin-5-ium ethyl sulfate,5-ethylphenazinium ethylsulfate,phenazinium, 5-ethyl-, ethyl sulfate,5-ethylphenazine, ethyl sulfate salt,ccris 5619,n-ethyldibenzopyrazine ethyl sulfate salt PubChem CID: 82688 IUPAC Name: 5-ethylphenazin-5-ium;ethyl sulfate SMILES: CC[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.CCOS(=O)(=O)[O-]
| PubChem CID | 82688 |
|---|---|
| CAS | 10510-77-7 |
| Molecular Weight (g/mol) | 334.39 |
| MDL Number | MFCD00050286 |
| SMILES | CC[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.CCOS(=O)(=O)[O-] |
| Synonym | phenazine ethosulfate,5-ethylphenazine,n-ethylphenazonium ethosulfate,5-ethylphenazinium ethyl sulphate,5-ethylphenazin-5-ium ethyl sulfate,5-ethylphenazinium ethylsulfate,phenazinium, 5-ethyl-, ethyl sulfate,5-ethylphenazine, ethyl sulfate salt,ccris 5619,n-ethyldibenzopyrazine ethyl sulfate salt |
| IUPAC Name | 5-ethylphenazin-5-ium;ethyl sulfate |
| InChI Key | VDJKJPMLWJWQIH-UHFFFAOYSA-M |
| Molecular Formula | C16H18N2O4S |
2-Propylpentanoic acid, sodium salt, 98%
CAS: 1069-66-5 MDL Number: MFCD00078604 InChI Key: AEQFSUDEHCCHBT-UHFFFAOYSA-M Synonym: sodium valproate,sodium 2-propylpentanoate,valproate sodium,valproic acid sodium salt,eurekene,labazene,orfiril,epilim,valproic acid sodium,valerin PubChem CID: 16760703 ChEBI: CHEBI:9925 IUPAC Name: sodium;2-propylpentanoate SMILES: CCCC(CCC)C(=O)[O-].[Na+]
| PubChem CID | 16760703 |
|---|---|
| CAS | 1069-66-5 |
| ChEBI | CHEBI:9925 |
| MDL Number | MFCD00078604 |
| SMILES | CCCC(CCC)C(=O)[O-].[Na+] |
| Synonym | sodium valproate,sodium 2-propylpentanoate,valproate sodium,valproic acid sodium salt,eurekene,labazene,orfiril,epilim,valproic acid sodium,valerin |
| IUPAC Name | sodium;2-propylpentanoate |
| InChI Key | AEQFSUDEHCCHBT-UHFFFAOYSA-M |
n-Octadecylphosphonic acid, 97%
CAS: 4724-47-4 Molecular Formula: C18H39O3P Molecular Weight (g/mol): 334.481 MDL Number: MFCD00015838 InChI Key: FTMKAMVLFVRZQX-UHFFFAOYSA-N Synonym: n-octadecylphosphonic acid,phosphonic acid, octadecyl,phosphonic acid, p-octadecyl,n-octadecylphosphonicacid,octadecanephosphonic acid,octadecyl phosphonic acid,octadecyl-phosphonic acid,acmc-209k8h,ksc492m8n,octadecylphosphonic acid PubChem CID: 78451 IUPAC Name: octadecylphosphonic acid SMILES: CCCCCCCCCCCCCCCCCCP(=O)(O)O
| PubChem CID | 78451 |
|---|---|
| CAS | 4724-47-4 |
| Molecular Weight (g/mol) | 334.481 |
| MDL Number | MFCD00015838 |
| SMILES | CCCCCCCCCCCCCCCCCCP(=O)(O)O |
| Synonym | n-octadecylphosphonic acid,phosphonic acid, octadecyl,phosphonic acid, p-octadecyl,n-octadecylphosphonicacid,octadecanephosphonic acid,octadecyl phosphonic acid,octadecyl-phosphonic acid,acmc-209k8h,ksc492m8n,octadecylphosphonic acid |
| IUPAC Name | octadecylphosphonic acid |
| InChI Key | FTMKAMVLFVRZQX-UHFFFAOYSA-N |
| Molecular Formula | C18H39O3P |
Aniline-2-sulfonic Acid, 95%
CAS: 88-21-1 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.19 MDL Number: MFCD00007705 InChI Key: ZMCHBSMFKQYNKA-UHFFFAOYSA-N Synonym: orthanilic acid,aniline-2-sulfonic acid,o-aminobenzenesulfonic acid,o-sulfanilic acid,aniline-o-sulfonic acid,2-sulfanilic acid,aniline-o-sulphonic acid,1-aminobenzene-2-sulfonic acid,2-aminobenzenesulphonic acid,benzenesulfonic acid, 2-amino PubChem CID: 6926 ChEBI: CHEBI:1015 IUPAC Name: 2-aminobenzenesulfonic acid SMILES: C1=CC=C(C(=C1)N)S(=O)(=O)O
| PubChem CID | 6926 |
|---|---|
| CAS | 88-21-1 |
| Molecular Weight (g/mol) | 173.19 |
| ChEBI | CHEBI:1015 |
| MDL Number | MFCD00007705 |
| SMILES | C1=CC=C(C(=C1)N)S(=O)(=O)O |
| Synonym | orthanilic acid,aniline-2-sulfonic acid,o-aminobenzenesulfonic acid,o-sulfanilic acid,aniline-o-sulfonic acid,2-sulfanilic acid,aniline-o-sulphonic acid,1-aminobenzene-2-sulfonic acid,2-aminobenzenesulphonic acid,benzenesulfonic acid, 2-amino |
| IUPAC Name | 2-aminobenzenesulfonic acid |
| InChI Key | ZMCHBSMFKQYNKA-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3S |
4-Ethoxymethylene-2-phenyloxazolin-5-one, 98+%
CAS: 15646-46-5 Molecular Formula: C12H11NO3 Molecular Weight (g/mol): 217.224 MDL Number: MFCD00003204 InChI Key: SJHPCNCNNSSLPL-NTMALXAHSA-N Synonym: oxazolone,oxazolone sensitizing agent,5 4h-oxazolone, 4-ethoxymethylene-2-phenyl,unii-78il0j7n72,4-ethoxymethylene-2-phenyl-2-oxazolin-5-one,4-ethoxymethylene-2-phenyloxazolin-5-one,4-ethoxymethylene-2-phenyl-2-oxazoline-5-one,4z-4-ethoxymethylidene-2-phenyl-1,3-oxazol-5-one,2-oxazolin-5-one, 4-ethoxymethylene-2-phenyl,4-ethoxymethylene-2-phenyloxazolone PubChem CID: 1712094 IUPAC Name: (4Z)-4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one SMILES: CCOC=C1C(=O)OC(=N1)C2=CC=CC=C2
| PubChem CID | 1712094 |
|---|---|
| CAS | 15646-46-5 |
| Molecular Weight (g/mol) | 217.224 |
| MDL Number | MFCD00003204 |
| SMILES | CCOC=C1C(=O)OC(=N1)C2=CC=CC=C2 |
| Synonym | oxazolone,oxazolone sensitizing agent,5 4h-oxazolone, 4-ethoxymethylene-2-phenyl,unii-78il0j7n72,4-ethoxymethylene-2-phenyl-2-oxazolin-5-one,4-ethoxymethylene-2-phenyloxazolin-5-one,4-ethoxymethylene-2-phenyl-2-oxazoline-5-one,4z-4-ethoxymethylidene-2-phenyl-1,3-oxazol-5-one,2-oxazolin-5-one, 4-ethoxymethylene-2-phenyl,4-ethoxymethylene-2-phenyloxazolone |
| IUPAC Name | (4Z)-4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one |
| InChI Key | SJHPCNCNNSSLPL-NTMALXAHSA-N |
| Molecular Formula | C12H11NO3 |
n-Propyl Gallate, MP Biomedicals™
CAS: 121-79-9 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.2 MDL Number: MFCD00002196 InChI Key: ZTHYODDOHIVTJV-UHFFFAOYSA-N
| CAS | 121-79-9 |
|---|---|
| Molecular Weight (g/mol) | 212.2 |
| MDL Number | MFCD00002196 |
| InChI Key | ZTHYODDOHIVTJV-UHFFFAOYSA-N |
| Molecular Formula | C10H12O5 |
N,N-Dibutylformamide, 99+%, Thermo Scientific Chemicals
CAS: 761-65-9 Molecular Formula: C9H19NO Molecular Weight (g/mol): 157.26 MDL Number: MFCD00003289 InChI Key: NZMAJUHVSZBJHL-UHFFFAOYSA-N Synonym: dibutylformamide,formamide, n,n-dibutyl,n,n-di-n-butylformamide,formamide, n,n-di-n-butyl,dibutylamid kyseliny mravenci,dibutylamid kyseliny mravenci czech,formamide, dibutyl,n-formyldibutylamine,formamide,n-dibutyl,n,n-di-butylformamide PubChem CID: 12975 IUPAC Name: N,N-dibutylformamide SMILES: CCCCN(CCCC)C=O
| PubChem CID | 12975 |
|---|---|
| CAS | 761-65-9 |
| Molecular Weight (g/mol) | 157.26 |
| MDL Number | MFCD00003289 |
| SMILES | CCCCN(CCCC)C=O |
| Synonym | dibutylformamide,formamide, n,n-dibutyl,n,n-di-n-butylformamide,formamide, n,n-di-n-butyl,dibutylamid kyseliny mravenci,dibutylamid kyseliny mravenci czech,formamide, dibutyl,n-formyldibutylamine,formamide,n-dibutyl,n,n-di-butylformamide |
| IUPAC Name | N,N-dibutylformamide |
| InChI Key | NZMAJUHVSZBJHL-UHFFFAOYSA-N |
| Molecular Formula | C9H19NO |