Organic acids and derivatives
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Methyl trimethylacetate, 99%
CAS: 598-98-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008843 InChI Key: CNMFHDIDIMZHKY-UHFFFAOYSA-N Synonym: methyl pivalate,methyl trimethylacetate,propanoic acid, 2,2-dimethyl-, methyl ester,pivalic acid, methyl ester,unii-bfx9w386ox,bfx9w386ox,pivalic acid methyl ester,methyl pivaloate,methyltrimethylacetate,tert-c4h9cooch3 PubChem CID: 69027 IUPAC Name: methyl 2,2-dimethylpropanoate SMILES: CC(C)(C)C(=O)OC
| PubChem CID | 69027 |
|---|---|
| CAS | 598-98-1 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00008843 |
| SMILES | CC(C)(C)C(=O)OC |
| Synonym | methyl pivalate,methyl trimethylacetate,propanoic acid, 2,2-dimethyl-, methyl ester,pivalic acid, methyl ester,unii-bfx9w386ox,bfx9w386ox,pivalic acid methyl ester,methyl pivaloate,methyltrimethylacetate,tert-c4h9cooch3 |
| IUPAC Name | methyl 2,2-dimethylpropanoate |
| InChI Key | CNMFHDIDIMZHKY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Diethyl 2-thienylmethylphosphonate, 95%
CAS: 2026-42-8 Molecular Formula: C9H15O3PS Molecular Weight (g/mol): 234.25 MDL Number: MFCD00128457 InChI Key: GOJBUVQDOFHBLF-UHFFFAOYSA-N Synonym: diethyl thiophen-2-ylmethyl phosphonate,diethyl 2-thienylmethyl phosphonate,thiophen-2-ylmethyl-phosphonic acid diethyl ester,diethyl 2-thienylmethylphosphonate,2-diethoxyphosphorylmethyl thiophene,phosphonic acid, 2-thienylmethyl-, diethyl ester,diethyl thiophen-2-ylmethylphosphonate,ksc207o5j,2-diethoxyphosphinylmethyl thiophene PubChem CID: 4185897 IUPAC Name: 2-(diethoxyphosphorylmethyl)thiophene SMILES: CCOP(=O)(CC1=CC=CS1)OCC
| PubChem CID | 4185897 |
|---|---|
| CAS | 2026-42-8 |
| Molecular Weight (g/mol) | 234.25 |
| MDL Number | MFCD00128457 |
| SMILES | CCOP(=O)(CC1=CC=CS1)OCC |
| Synonym | diethyl thiophen-2-ylmethyl phosphonate,diethyl 2-thienylmethyl phosphonate,thiophen-2-ylmethyl-phosphonic acid diethyl ester,diethyl 2-thienylmethylphosphonate,2-diethoxyphosphorylmethyl thiophene,phosphonic acid, 2-thienylmethyl-, diethyl ester,diethyl thiophen-2-ylmethylphosphonate,ksc207o5j,2-diethoxyphosphinylmethyl thiophene |
| IUPAC Name | 2-(diethoxyphosphorylmethyl)thiophene |
| InChI Key | GOJBUVQDOFHBLF-UHFFFAOYSA-N |
| Molecular Formula | C9H15O3PS |
1-Decanesulfonic Acid Sodium Salt, Approx. 99%, Spectrum™ Chemical
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CAS: 13419-61-9
| CAS | 13419-61-9 |
|---|
Propionic Acid Hemicalcium Salt, MP Biomedicals™
CAS: 4075-81-4 Molecular Formula: C6H10CaO4 Molecular Weight (g/mol): 186.22 MDL Number: MFCD00167354 InChI Key: BCZXFFBUYPCTSJ-UHFFFAOYSA-L Synonym: calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907 PubChem CID: 19999 ChEBI: CHEBI:81716 IUPAC Name: calcium dipropanoate SMILES: [Ca++].CCC([O-])=O.CCC([O-])=O
| PubChem CID | 19999 |
|---|---|
| CAS | 4075-81-4 |
| Molecular Weight (g/mol) | 186.22 |
| ChEBI | CHEBI:81716 |
| MDL Number | MFCD00167354 |
| SMILES | [Ca++].CCC([O-])=O.CCC([O-])=O |
| Synonym | calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907 |
| IUPAC Name | calcium dipropanoate |
| InChI Key | BCZXFFBUYPCTSJ-UHFFFAOYSA-L |
| Molecular Formula | C6H10CaO4 |
4-Cyanobenzamide, 97%
CAS: 3034-34-2 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.15 MDL Number: MFCD00017133 InChI Key: FUKWTMJZHKZKFA-UHFFFAOYSA-N Synonym: p-cyanobenzamide,benzamide, 4-cyano,unii-3p9ug7v78s,benzamide, p-cyano,benzamide, p-cyano-8ci,p-cyano benzamide,4-cyano-benzamide,cyanobenzamide,acmc-1agnt,p-cyanobenzoic acid amide PubChem CID: 76427 IUPAC Name: 4-cyanobenzamide SMILES: NC(=O)C1=CC=C(C=C1)C#N
| PubChem CID | 76427 |
|---|---|
| CAS | 3034-34-2 |
| Molecular Weight (g/mol) | 146.15 |
| MDL Number | MFCD00017133 |
| SMILES | NC(=O)C1=CC=C(C=C1)C#N |
| Synonym | p-cyanobenzamide,benzamide, 4-cyano,unii-3p9ug7v78s,benzamide, p-cyano,benzamide, p-cyano-8ci,p-cyano benzamide,4-cyano-benzamide,cyanobenzamide,acmc-1agnt,p-cyanobenzoic acid amide |
| IUPAC Name | 4-cyanobenzamide |
| InChI Key | FUKWTMJZHKZKFA-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O |
N,N'-Dicyclohexylurea, 98%
CAS: 2387-23-7 Molecular Formula: C13H24N2O Molecular Weight (g/mol): 224.348 MDL Number: MFCD00003829 InChI Key: ADFXKUOMJKEIND-UHFFFAOYSA-N Synonym: n,n'-dicyclohexylurea,dicyclohexylurea,urea, n,n'-dicyclohexyl,unii-zv7823vvim,chembl1458,zv7823vvim,urea,3-dicyclohexyl,urea,n'-dicyclohexyl,n,n inverted exclamation marka-dicyclohexylurea,urea, 1,3-dicyclohexyl PubChem CID: 4277 IUPAC Name: 1,3-dicyclohexylurea SMILES: C1CCC(CC1)NC(=O)NC2CCCCC2
| PubChem CID | 4277 |
|---|---|
| CAS | 2387-23-7 |
| Molecular Weight (g/mol) | 224.348 |
| MDL Number | MFCD00003829 |
| SMILES | C1CCC(CC1)NC(=O)NC2CCCCC2 |
| Synonym | n,n'-dicyclohexylurea,dicyclohexylurea,urea, n,n'-dicyclohexyl,unii-zv7823vvim,chembl1458,zv7823vvim,urea,3-dicyclohexyl,urea,n'-dicyclohexyl,n,n inverted exclamation marka-dicyclohexylurea,urea, 1,3-dicyclohexyl |
| IUPAC Name | 1,3-dicyclohexylurea |
| InChI Key | ADFXKUOMJKEIND-UHFFFAOYSA-N |
| Molecular Formula | C13H24N2O |
(4S)-N-Crotonyl-4-isopropyl-2-oxazolidinone, 99%, Thermo Scientific™
CAS: 90719-29-2 Molecular Formula: C10H15NO3 Molecular Weight (g/mol): 197.23 MDL Number: MFCD00075429 InChI Key: YZRHIMNEVFYTAJ-WTSVBCDHSA-N Synonym: 4s-3-2e-but-2-enoyl-4-isopropyl-1,3-oxazolidin-2-one,hg^l@lanry gyifjffjamdp,4s-n-crotonyl-4-isopropyl-2-oxazolidinone,3-2-butenoyl-4beta-isopropyloxazolidine-2-one,4s-3-crotonoyl-4beta-isopropyloxazolidine-2-one,s-+-3-crotonoyl-4-isopropyl-2-oxazolidinone,4s-3-e-but-2-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one,3-trans-3-methyl-2-propenoyl-4-s-isopropyl-2-oxazolidinone PubChem CID: 5702601 IUPAC Name: (4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one SMILES: CC=CC(=O)N1C(COC1=O)C(C)C
| PubChem CID | 5702601 |
|---|---|
| CAS | 90719-29-2 |
| Molecular Weight (g/mol) | 197.23 |
| MDL Number | MFCD00075429 |
| SMILES | CC=CC(=O)N1C(COC1=O)C(C)C |
| Synonym | 4s-3-2e-but-2-enoyl-4-isopropyl-1,3-oxazolidin-2-one,hg^l@lanry gyifjffjamdp,4s-n-crotonyl-4-isopropyl-2-oxazolidinone,3-2-butenoyl-4beta-isopropyloxazolidine-2-one,4s-3-crotonoyl-4beta-isopropyloxazolidine-2-one,s-+-3-crotonoyl-4-isopropyl-2-oxazolidinone,4s-3-e-but-2-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one,3-trans-3-methyl-2-propenoyl-4-s-isopropyl-2-oxazolidinone |
| IUPAC Name | (4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one |
| InChI Key | YZRHIMNEVFYTAJ-WTSVBCDHSA-N |
| Molecular Formula | C10H15NO3 |
Diethyl (3-aminopropyl)phosphonate, 95%, Thermo Scientific Chemicals
CAS: 4402-24-8 Molecular Formula: C7H18NO3P Molecular Weight (g/mol): 195.20 MDL Number: MFCD11110596 InChI Key: DQORFBNFNLHVIM-UHFFFAOYSA-N Synonym: diethyl 3-aminopropyl phosphonate,diethyl 3-aminopropylphosphonate,3-aminopropyl phosphonic acid diethyl ester,diethyl aminopropyl phosphonate,3-aminopropylphosphonic acid diethyl ester,3-aminopropanephosphonic acid diethyl ester,3-amino-propyl-phosphonic acid diethyl ester,diethyl 3-aminopropyl phosphonate 250mg,phosphonic acid, 3-aminopropyl-, diethyl ester PubChem CID: 78113 IUPAC Name: 3-diethoxyphosphorylpropan-1-amine SMILES: CCOP(=O)(CCCN)OCC
| PubChem CID | 78113 |
|---|---|
| CAS | 4402-24-8 |
| Molecular Weight (g/mol) | 195.20 |
| MDL Number | MFCD11110596 |
| SMILES | CCOP(=O)(CCCN)OCC |
| Synonym | diethyl 3-aminopropyl phosphonate,diethyl 3-aminopropylphosphonate,3-aminopropyl phosphonic acid diethyl ester,diethyl aminopropyl phosphonate,3-aminopropylphosphonic acid diethyl ester,3-aminopropanephosphonic acid diethyl ester,3-amino-propyl-phosphonic acid diethyl ester,diethyl 3-aminopropyl phosphonate 250mg,phosphonic acid, 3-aminopropyl-, diethyl ester |
| IUPAC Name | 3-diethoxyphosphorylpropan-1-amine |
| InChI Key | DQORFBNFNLHVIM-UHFFFAOYSA-N |
| Molecular Formula | C7H18NO3P |
Diethyl 12-mercaptododecylphosphonate, 95%
CAS: 1049677-30-6 Molecular Formula: C16H35O3PS Molecular Weight (g/mol): 338.49 MDL Number: MFCD11046117 InChI Key: JAVFXEXYSKLPHD-UHFFFAOYSA-N Synonym: diethyl 12-mercaptododecylphosphonate,diethyl 12-sulfanyldodecylphosphonate,12-mercaptododecylphosphonic acid diethyl ester PubChem CID: 45158995 IUPAC Name: 12-diethoxyphosphoryldodecane-1-thiol SMILES: CCOP(=O)(CCCCCCCCCCCCS)OCC
| PubChem CID | 45158995 |
|---|---|
| CAS | 1049677-30-6 |
| Molecular Weight (g/mol) | 338.49 |
| MDL Number | MFCD11046117 |
| SMILES | CCOP(=O)(CCCCCCCCCCCCS)OCC |
| Synonym | diethyl 12-mercaptododecylphosphonate,diethyl 12-sulfanyldodecylphosphonate,12-mercaptododecylphosphonic acid diethyl ester |
| IUPAC Name | 12-diethoxyphosphoryldodecane-1-thiol |
| InChI Key | JAVFXEXYSKLPHD-UHFFFAOYSA-N |
| Molecular Formula | C16H35O3PS |
Thermo Scientific Chemicals Ethylenediaminetetraacetic Acid, 0.5M aq. soln., pH 8.0, autoclaved
CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
| PubChem CID | 6049 |
|---|---|
| CAS | 60-00-4 |
| Molecular Weight (g/mol) | 292.24 |
| ChEBI | CHEBI:42191 |
| MDL Number | MFCD00003541 |
| SMILES | OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
| Synonym | edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol |
| IUPAC Name | 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid |
| InChI Key | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
| Molecular Formula | C10H16N2O8 |
Cyclohexylurea, 98%
CAS: 698-90-8 Molecular Formula: C7H14N2O Molecular Weight (g/mol): 142.202 MDL Number: MFCD00014286 InChI Key: WUESWDIHTKHGQA-UHFFFAOYSA-N Synonym: 1-cyclohexylurea,urea, cyclohexyl,n-cyclohexylurea,n-cyclohexlurea,cyclohexyl urea,amino-n-cyclohexylamide,cyclohexyl-urea,monocyclohexylurea,n'-cyclohexylurea,n'-cyclohexyl urea PubChem CID: 69684 IUPAC Name: cyclohexylurea SMILES: C1CCC(CC1)NC(=O)N
| PubChem CID | 69684 |
|---|---|
| CAS | 698-90-8 |
| Molecular Weight (g/mol) | 142.202 |
| MDL Number | MFCD00014286 |
| SMILES | C1CCC(CC1)NC(=O)N |
| Synonym | 1-cyclohexylurea,urea, cyclohexyl,n-cyclohexylurea,n-cyclohexlurea,cyclohexyl urea,amino-n-cyclohexylamide,cyclohexyl-urea,monocyclohexylurea,n'-cyclohexylurea,n'-cyclohexyl urea |
| IUPAC Name | cyclohexylurea |
| InChI Key | WUESWDIHTKHGQA-UHFFFAOYSA-N |
| Molecular Formula | C7H14N2O |
1-(Cyclopropylcarbonyl)piperazine, 97%, Thermo Scientific Chemicals
CAS: 59878-57-8 Molecular Formula: C8H15N2O Molecular Weight (g/mol): 155.22 MDL Number: MFCD06369645 InChI Key: KIALFUYSJAAJSU-UHFFFAOYSA-O Synonym: 1-cyclopropylcarbonyl piperazine,cyclopropyl piperazin-1-yl methanone,1-cyclopropanecarbonylpiperazine,cyclopropyl-piperazin-1-yl-methanone,1-cyclopropanecarbonyl piperazine,piperazine, 1-cyclopropylcarbonyl,piperazinocyclopropyl ketone,cyclopropyl piperazinyl ketone,1-cyclopropylcarbonylpiperazine,4-cyclopropanecarbonyl-piperazine PubChem CID: 2064235 IUPAC Name: cyclopropyl(piperazin-1-yl)methanone SMILES: O=C(C1CC1)N1CC[NH2+]CC1
| PubChem CID | 2064235 |
|---|---|
| CAS | 59878-57-8 |
| Molecular Weight (g/mol) | 155.22 |
| MDL Number | MFCD06369645 |
| SMILES | O=C(C1CC1)N1CC[NH2+]CC1 |
| Synonym | 1-cyclopropylcarbonyl piperazine,cyclopropyl piperazin-1-yl methanone,1-cyclopropanecarbonylpiperazine,cyclopropyl-piperazin-1-yl-methanone,1-cyclopropanecarbonyl piperazine,piperazine, 1-cyclopropylcarbonyl,piperazinocyclopropyl ketone,cyclopropyl piperazinyl ketone,1-cyclopropylcarbonylpiperazine,4-cyclopropanecarbonyl-piperazine |
| IUPAC Name | cyclopropyl(piperazin-1-yl)methanone |
| InChI Key | KIALFUYSJAAJSU-UHFFFAOYSA-O |
| Molecular Formula | C8H15N2O |
11-Hydroxyundecylphosphonic acid, 95%
CAS: 83905-98-0 Molecular Formula: C11H25O4P Molecular Weight (g/mol): 252.291 MDL Number: MFCD11982869 InChI Key: PPCDEFQVKBXBPS-UHFFFAOYSA-N Synonym: 11-hydroxyundecyl phosphonic acid,11-hydroxyundecyl-1-phosphonic acid,11-hydroxyundecylphosphonic acid,phosphonic acid, 11-hydroxyundecyl,11-hydroxyundecylphosphonic acid gc PubChem CID: 45158971 IUPAC Name: 11-hydroxyundecylphosphonic acid SMILES: C(CCCCCO)CCCCCP(=O)(O)O
| PubChem CID | 45158971 |
|---|---|
| CAS | 83905-98-0 |
| Molecular Weight (g/mol) | 252.291 |
| MDL Number | MFCD11982869 |
| SMILES | C(CCCCCO)CCCCCP(=O)(O)O |
| Synonym | 11-hydroxyundecyl phosphonic acid,11-hydroxyundecyl-1-phosphonic acid,11-hydroxyundecylphosphonic acid,phosphonic acid, 11-hydroxyundecyl,11-hydroxyundecylphosphonic acid gc |
| IUPAC Name | 11-hydroxyundecylphosphonic acid |
| InChI Key | PPCDEFQVKBXBPS-UHFFFAOYSA-N |
| Molecular Formula | C11H25O4P |
1-Methylpyrrole-2-carboxylic acid, 98%
CAS: 6973-60-0 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD00003088 InChI Key: ILAOVOOZLVGAJF-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrrole-2-carboxylic acid,1-methyl-2-pyrrolecarboxylic acid,n-methylpyrrole-2-carboxylic acid,1h-pyrrole-2-carboxylic acid, 1-methyl,1h-pyrrolecarboxylic acid, methyl,1-methyl-1h-pyrrole-2-carboxylicacid,pubchem9181,acmc-209oar,ksc353i0t,2-carboxy-1-methyl-1h-pyrrole PubChem CID: 81453 IUPAC Name: 1-methylpyrrole-2-carboxylic acid SMILES: CN1C=CC=C1C(=O)O
| PubChem CID | 81453 |
|---|---|
| CAS | 6973-60-0 |
| Molecular Weight (g/mol) | 125.127 |
| MDL Number | MFCD00003088 |
| SMILES | CN1C=CC=C1C(=O)O |
| Synonym | 1-methyl-1h-pyrrole-2-carboxylic acid,1-methyl-2-pyrrolecarboxylic acid,n-methylpyrrole-2-carboxylic acid,1h-pyrrole-2-carboxylic acid, 1-methyl,1h-pyrrolecarboxylic acid, methyl,1-methyl-1h-pyrrole-2-carboxylicacid,pubchem9181,acmc-209oar,ksc353i0t,2-carboxy-1-methyl-1h-pyrrole |
| IUPAC Name | 1-methylpyrrole-2-carboxylic acid |
| InChI Key | ILAOVOOZLVGAJF-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
Avantor J.T.Baker EDTA, Disodium Salt, Dihydrate, Crystal, Ultrapure Bioreagent, J.T. Baker™
CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L Synonym: edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs PubChem CID: 44120005 SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| PubChem CID | 44120005 |
|---|---|
| CAS | 6381-92-6 |
| Molecular Weight (g/mol) | 372.24 |
| MDL Number | MFCD00150037,MFCD00003541 |
| SMILES | O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O |
| Synonym | edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs |
| InChI Key | OVBJJZOQPCKUOR-UHFFFAOYSA-L |
| Molecular Formula | C10H18N2Na2O10 |