Organic acids and derivatives
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Ethyl 3-hydroxybutyrate, 98+%
CAS: 5405-41-4 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00004545 InChI Key: OMSUIQOIVADKIM-UHFFFAOYNA-N Synonym: ethyl 3-hydroxybutyrate,ethyl beta-hydroxybutyrate,butanoic acid, 3-hydroxy-, ethyl ester,butyric acid, 3-hydroxy-, ethyl ester,fema no. 3428,ethyl 3-hydroxybutyrate natural,ethyl dl-3-hydroxybutyrate,ethyl 1-3-hydroxybutyrate,dl-3-hydroxy-n-butyric acid ethyl ester,ethyl3-hydroxybutyrate PubChem CID: 62572 ChEBI: CHEBI:87685 IUPAC Name: ethyl 3-hydroxybutanoate SMILES: CCOC(=O)CC(C)O
| PubChem CID | 62572 |
|---|---|
| CAS | 5405-41-4 |
| Molecular Weight (g/mol) | 132.16 |
| ChEBI | CHEBI:87685 |
| MDL Number | MFCD00004545 |
| SMILES | CCOC(=O)CC(C)O |
| Synonym | ethyl 3-hydroxybutyrate,ethyl beta-hydroxybutyrate,butanoic acid, 3-hydroxy-, ethyl ester,butyric acid, 3-hydroxy-, ethyl ester,fema no. 3428,ethyl 3-hydroxybutyrate natural,ethyl dl-3-hydroxybutyrate,ethyl 1-3-hydroxybutyrate,dl-3-hydroxy-n-butyric acid ethyl ester,ethyl3-hydroxybutyrate |
| IUPAC Name | ethyl 3-hydroxybutanoate |
| InChI Key | OMSUIQOIVADKIM-UHFFFAOYNA-N |
| Molecular Formula | C6H12O3 |
N-[Tris(hydroxymethyl)methyl]acrylamide, 99%
CAS: 13880-05-2 Molecular Formula: C7H13NO4 Molecular Weight (g/mol): 175.18 MDL Number: MFCD00081045 InChI Key: MVBJSQCJPSRKSW-UHFFFAOYSA-N Synonym: n-tris hydroxymethyl methyl acrylamide,n-1,3-dihydroxy-2-hydroxymethyl propan-2-yl acrylamide,tris-acrylamide,n-acryloyltris hydroxymethyl aminomethane,n-acryloyl-tris hydroxymethyl aminomethane,n-1,3-dihydroxy-2-hydroxymethyl propan-2-yl prop-2-enamide,zlchem 121,acryloylaminomethylidynetrimethanol,n-1,3-dihydroxy-2-hydroxymethyl-2-propanyl acrylamide PubChem CID: 83788 IUPAC Name: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide SMILES: OCC(CO)(CO)NC(=O)C=C
| PubChem CID | 83788 |
|---|---|
| CAS | 13880-05-2 |
| Molecular Weight (g/mol) | 175.18 |
| MDL Number | MFCD00081045 |
| SMILES | OCC(CO)(CO)NC(=O)C=C |
| Synonym | n-tris hydroxymethyl methyl acrylamide,n-1,3-dihydroxy-2-hydroxymethyl propan-2-yl acrylamide,tris-acrylamide,n-acryloyltris hydroxymethyl aminomethane,n-acryloyl-tris hydroxymethyl aminomethane,n-1,3-dihydroxy-2-hydroxymethyl propan-2-yl prop-2-enamide,zlchem 121,acryloylaminomethylidynetrimethanol,n-1,3-dihydroxy-2-hydroxymethyl-2-propanyl acrylamide |
| IUPAC Name | N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide |
| InChI Key | MVBJSQCJPSRKSW-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO4 |
Ethylurea, 98%
CAS: 625-52-5 Molecular Formula: C3H8N2O Molecular Weight (g/mol): 88.11 MDL Number: MFCD00007953 InChI Key: RYECOJGRJDOGPP-UHFFFAOYSA-N Synonym: 1-ethylurea,n-ethylurea,urea, ethyl,urea, 1-ethyl,polyurethane,urea, n-ethyl,ethyl urea,pellethane,athylisoharnstoff PubChem CID: 12254 IUPAC Name: ethylurea SMILES: CCNC(N)=O
| PubChem CID | 12254 |
|---|---|
| CAS | 625-52-5 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00007953 |
| SMILES | CCNC(N)=O |
| Synonym | 1-ethylurea,n-ethylurea,urea, ethyl,urea, 1-ethyl,polyurethane,urea, n-ethyl,ethyl urea,pellethane,athylisoharnstoff |
| IUPAC Name | ethylurea |
| InChI Key | RYECOJGRJDOGPP-UHFFFAOYSA-N |
| Molecular Formula | C3H8N2O |
Sodium citrate, 99.8%, For ACS analysis, MP Biomedicals™
CAS: 1545801 Molecular Formula: C6H9Na3O9 Molecular Weight (g/mol): 294.1 InChI Key: NLJMYIDDQXHKNR-UHFFFAOYSA-K Synonym: trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate PubChem CID: 71474 ChEBI: CHEBI:32142 IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]
| PubChem CID | 71474 |
|---|---|
| CAS | 1545801 |
| Molecular Weight (g/mol) | 294.1 |
| ChEBI | CHEBI:32142 |
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+] |
| Synonym | trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate |
| IUPAC Name | trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate |
| InChI Key | NLJMYIDDQXHKNR-UHFFFAOYSA-K |
| Molecular Formula | C6H9Na3O9 |
Pyridoxal-5-Phosphate Monohydrate, Approx. 98%, MP Biomedicals™
CAS: 41468-25-1 Molecular Formula: C8H10NO6P Molecular Weight (g/mol): 247.14 MDL Number: MFCD00006333 InChI Key: NGVDGCNFYWLIFO-UHFFFAOYSA-N Synonym: 4-formyl-5-hydroxy-6-methylpyridin-3-yl methyl dihydrogen phosphate hydrate,pyridoxal phosphate hydrate,pyridoxal 5-phosphate monohydrate,phosphopyridoxal monohydrate,pyridoxyl phosphate monohydrate,unii-5v5ioj8338,pyridoxal-5-phosphate, monohydrate,pyridoxal-5'-phosphate monohydrate,pyridoxal-5-phosphate monohydrate,pyridoxal 5'-phosphate monohydrate PubChem CID: 38882 IUPAC Name: [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid SMILES: CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O
| PubChem CID | 38882 |
|---|---|
| CAS | 41468-25-1 |
| Molecular Weight (g/mol) | 247.14 |
| MDL Number | MFCD00006333 |
| SMILES | CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O |
| Synonym | 4-formyl-5-hydroxy-6-methylpyridin-3-yl methyl dihydrogen phosphate hydrate,pyridoxal phosphate hydrate,pyridoxal 5-phosphate monohydrate,phosphopyridoxal monohydrate,pyridoxyl phosphate monohydrate,unii-5v5ioj8338,pyridoxal-5-phosphate, monohydrate,pyridoxal-5'-phosphate monohydrate,pyridoxal-5-phosphate monohydrate,pyridoxal 5'-phosphate monohydrate |
| IUPAC Name | [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid |
| InChI Key | NGVDGCNFYWLIFO-UHFFFAOYSA-N |
| Molecular Formula | C8H10NO6P |
Trimethylurea
CAS: 632-14-4 Molecular Formula: C4H10N2O Molecular Weight (g/mol): 102.14 MDL Number: MFCD00014868 InChI Key: COSWCAGTKRUTQV-UHFFFAOYSA-N Synonym: trimethylurea,n,n,n'-trimethylurea,urea, trimethyl,n,n'-dimethyl-n-methylurea,trimethylharnstoff,n,n',n'-trimethylurea,trimethylharnstoff german,urea, 1,1,3-trimethyl,unii-rmk4wz573b,urea, n,n,n'-trimethyl PubChem CID: 12435 IUPAC Name: 1,1,3-trimethylurea SMILES: CNC(=O)N(C)C
| PubChem CID | 12435 |
|---|---|
| CAS | 632-14-4 |
| Molecular Weight (g/mol) | 102.14 |
| MDL Number | MFCD00014868 |
| SMILES | CNC(=O)N(C)C |
| Synonym | trimethylurea,n,n,n'-trimethylurea,urea, trimethyl,n,n'-dimethyl-n-methylurea,trimethylharnstoff,n,n',n'-trimethylurea,trimethylharnstoff german,urea, 1,1,3-trimethyl,unii-rmk4wz573b,urea, n,n,n'-trimethyl |
| IUPAC Name | 1,1,3-trimethylurea |
| InChI Key | COSWCAGTKRUTQV-UHFFFAOYSA-N |
| Molecular Formula | C4H10N2O |
Ethylene glycol-bis-(β-aminoethylether)-N,N,N',N'-tetraacetic acid, 99.6%, MP Biomedicals™
CAS: 67-42-5 Molecular Formula: C14H24N2O10 Molecular Weight (g/mol): 380.35 InChI Key: DEFVIWRASFVYLL-UHFFFAOYSA-N Synonym: egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn PubChem CID: 6207 ChEBI: CHEBI:30740 IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid SMILES: C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
| PubChem CID | 6207 |
|---|---|
| CAS | 67-42-5 |
| Molecular Weight (g/mol) | 380.35 |
| ChEBI | CHEBI:30740 |
| SMILES | C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
| Synonym | egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn |
| IUPAC Name | 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid |
| InChI Key | DEFVIWRASFVYLL-UHFFFAOYSA-N |
| Molecular Formula | C14H24N2O10 |
2-Tolylboronic acid, 95%
CAS: 16419-60-6 Molecular Formula: C7H9BO2 Molecular Weight (g/mol): 135.96 MDL Number: MFCD00093526 InChI Key: NSJVYHOPHZMZPN-UHFFFAOYSA-N Synonym: 2-tolylboronic acid,o-tolylboronic acid,2-methylbenzeneboronic acid,2-methylphenyl boronic acid,o-methylphenylboronic acid,2-methylphenyl boranediol,tolylboronic acid,o-tolueneboronic acid,toluene-2-boronic acid,boronic acid, methylphenyl PubChem CID: 2733267 IUPAC Name: (2-methylphenyl)boronic acid SMILES: CC1=CC=CC=C1B(O)O
| PubChem CID | 2733267 |
|---|---|
| CAS | 16419-60-6 |
| Molecular Weight (g/mol) | 135.96 |
| MDL Number | MFCD00093526 |
| SMILES | CC1=CC=CC=C1B(O)O |
| Synonym | 2-tolylboronic acid,o-tolylboronic acid,2-methylbenzeneboronic acid,2-methylphenyl boronic acid,o-methylphenylboronic acid,2-methylphenyl boranediol,tolylboronic acid,o-tolueneboronic acid,toluene-2-boronic acid,boronic acid, methylphenyl |
| IUPAC Name | (2-methylphenyl)boronic acid |
| InChI Key | NSJVYHOPHZMZPN-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO2 |
Hexanamide, 98%, Thermo Scientific™
CAS: 628-02-4 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.18 MDL Number: MFCD00008046 InChI Key: ALBYIUDWACNRRB-UHFFFAOYSA-N Synonym: capronamide,hexamide,hexylamide,n-caproamide,caproamide,n-hexanamide,hexamide van,hexanoamide,n-capronamide,n-caproic amide PubChem CID: 12332 IUPAC Name: hexanamide SMILES: CCCCCC(=O)N
| PubChem CID | 12332 |
|---|---|
| CAS | 628-02-4 |
| Molecular Weight (g/mol) | 115.18 |
| MDL Number | MFCD00008046 |
| SMILES | CCCCCC(=O)N |
| Synonym | capronamide,hexamide,hexylamide,n-caproamide,caproamide,n-hexanamide,hexamide van,hexanoamide,n-capronamide,n-caproic amide |
| IUPAC Name | hexanamide |
| InChI Key | ALBYIUDWACNRRB-UHFFFAOYSA-N |
| Molecular Formula | C6H13NO |
6-Hydroxycaproic acid, 95%
CAS: 1191-25-9 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00046560 InChI Key: IWHLYPDWHHPVAA-UHFFFAOYSA-N Synonym: 6-hydroxycaproic acid,6-hydroxyhexanoate,hexanoic acid, 6-hydroxy,6-hydroxy caproic acid,6-hydroxy-hexanoic acid,epsilon-hydroxycaproic acid,5-carboxypentanol,unii-3y3ox37nm8,6-hydroxycaproicacid,pract.,containslactone,6-hydroxy-caproic acid PubChem CID: 14490 ChEBI: CHEBI:17869 IUPAC Name: 6-hydroxyhexanoic acid SMILES: C(CCC(=O)O)CCO
| PubChem CID | 14490 |
|---|---|
| CAS | 1191-25-9 |
| Molecular Weight (g/mol) | 132.16 |
| ChEBI | CHEBI:17869 |
| MDL Number | MFCD00046560 |
| SMILES | C(CCC(=O)O)CCO |
| Synonym | 6-hydroxycaproic acid,6-hydroxyhexanoate,hexanoic acid, 6-hydroxy,6-hydroxy caproic acid,6-hydroxy-hexanoic acid,epsilon-hydroxycaproic acid,5-carboxypentanol,unii-3y3ox37nm8,6-hydroxycaproicacid,pract.,containslactone,6-hydroxy-caproic acid |
| IUPAC Name | 6-hydroxyhexanoic acid |
| InChI Key | IWHLYPDWHHPVAA-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
Urea, ≥99%, (Crystalline/ACS Reagent Grade), MP Biomedicals
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 |
4-Carboxyphenylboronic acid, 97%
CAS: 14047-29-1 Molecular Formula: C7H7BO4 Molecular Weight (g/mol): 165.94 MDL Number: MFCD00151801 InChI Key: SIAVMDKGVRXFAX-UHFFFAOYSA-N Synonym: 4-carboxyphenylboronic acid,4-carboxybenzeneboronic acid,4-dihydroxyboranyl benzoic acid,benzoic acid, 4-borono,4-dihydroxyboryl benzoic acid,p-carboxyphenylboronic acid,4-phenylester boronic acid,4-carboxyphenyl boronic acid,chembl82324 PubChem CID: 312183 IUPAC Name: 4-boronobenzoic acid SMILES: OB(O)C1=CC=C(C=C1)C(O)=O
| PubChem CID | 312183 |
|---|---|
| CAS | 14047-29-1 |
| Molecular Weight (g/mol) | 165.94 |
| MDL Number | MFCD00151801 |
| SMILES | OB(O)C1=CC=C(C=C1)C(O)=O |
| Synonym | 4-carboxyphenylboronic acid,4-carboxybenzeneboronic acid,4-dihydroxyboranyl benzoic acid,benzoic acid, 4-borono,4-dihydroxyboryl benzoic acid,p-carboxyphenylboronic acid,4-phenylester boronic acid,4-carboxyphenyl boronic acid,chembl82324 |
| IUPAC Name | 4-boronobenzoic acid |
| InChI Key | SIAVMDKGVRXFAX-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO4 |
(-)-Diethyl D-tartrate, 99%
CAS: 13811-71-7 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.19 MDL Number: MFCD00064451 InChI Key: YSAVZVORKRDODB-WDSKDSINSA-N Synonym: --diethyl d-tartrate,2s,3s-diethyl 2,3-dihydroxysuccinate,diethyl d-tartrate,d---tartaric acid diethyl ester,diethyl d---tartrate,diethyl-d-tartrate,diethyl 2s,3s-2,3-dihydroxybutanedioate,2s,3s--dihydroxybutane-1,4-dioic acid diethyl ester,--diethyl-d-tartrate,diethyl s-r*,r*-tartrate PubChem CID: 117410 IUPAC Name: diethyl (2S,3S)-2,3-dihydroxybutanedioate SMILES: CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC
| PubChem CID | 117410 |
|---|---|
| CAS | 13811-71-7 |
| Molecular Weight (g/mol) | 206.19 |
| MDL Number | MFCD00064451 |
| SMILES | CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC |
| Synonym | --diethyl d-tartrate,2s,3s-diethyl 2,3-dihydroxysuccinate,diethyl d-tartrate,d---tartaric acid diethyl ester,diethyl d---tartrate,diethyl-d-tartrate,diethyl 2s,3s-2,3-dihydroxybutanedioate,2s,3s--dihydroxybutane-1,4-dioic acid diethyl ester,--diethyl-d-tartrate,diethyl s-r*,r*-tartrate |
| IUPAC Name | diethyl (2S,3S)-2,3-dihydroxybutanedioate |
| InChI Key | YSAVZVORKRDODB-WDSKDSINSA-N |
| Molecular Formula | C8H14O6 |
4-Nitrobenzhydrazide, 98+%
CAS: 636-97-5 Molecular Formula: C7H7N3O3 Molecular Weight (g/mol): 181.151 MDL Number: MFCD00007604 InChI Key: FKZXYJYTUSGIQE-UHFFFAOYSA-N Synonym: 4-nitrobenzhydrazide,p-nitrobenzhydrazide,4-nitrobenzoylhydrazine,p-nitrobenzohydrazide,p-nitrobenzoylhydrazide,p-nitrobenzoic hydrazide,p-nitrobenzoic acid hydrazide,p-nitrobenzoyl hydrazine,4-nitrobenzoic acid hydrazide,4-nitrobenzoyl hydrazide PubChem CID: 3693744 ChEBI: CHEBI:66928 IUPAC Name: 4-nitrobenzohydrazide SMILES: C1=CC(=CC=C1C(=O)NN)[N+](=O)[O-]
| PubChem CID | 3693744 |
|---|---|
| CAS | 636-97-5 |
| Molecular Weight (g/mol) | 181.151 |
| ChEBI | CHEBI:66928 |
| MDL Number | MFCD00007604 |
| SMILES | C1=CC(=CC=C1C(=O)NN)[N+](=O)[O-] |
| Synonym | 4-nitrobenzhydrazide,p-nitrobenzhydrazide,4-nitrobenzoylhydrazine,p-nitrobenzohydrazide,p-nitrobenzoylhydrazide,p-nitrobenzoic hydrazide,p-nitrobenzoic acid hydrazide,p-nitrobenzoyl hydrazine,4-nitrobenzoic acid hydrazide,4-nitrobenzoyl hydrazide |
| IUPAC Name | 4-nitrobenzohydrazide |
| InChI Key | FKZXYJYTUSGIQE-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3O3 |