Organic acids and derivatives
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Ethyl 3-Methylcrotonate 97.0+%, TCI America™
CAS: 638-10-8 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00009187 InChI Key: UTXVCHVLDOLVPC-UHFFFAOYSA-N Synonym: 3,3-Dimethylacrylic Acid Ethyl Ester, Ethyl 3,3-Dimethylacrylate, Ethyl 3-Methyl-2-butenoate, 3-Methylcrotonic Acid Ethyl Ester, 3-Methyl-2-butenoic Acid Ethyl Ester PubChem CID: 12516 IUPAC Name: ethyl 3-methylbut-2-enoate SMILES: CCOC(=O)C=C(C)C
| PubChem CID | 12516 |
|---|---|
| CAS | 638-10-8 |
| Molecular Weight (g/mol) | 128.171 |
| MDL Number | MFCD00009187 |
| SMILES | CCOC(=O)C=C(C)C |
| Synonym | 3,3-Dimethylacrylic Acid Ethyl Ester, Ethyl 3,3-Dimethylacrylate, Ethyl 3-Methyl-2-butenoate, 3-Methylcrotonic Acid Ethyl Ester, 3-Methyl-2-butenoic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-methylbut-2-enoate |
| InChI Key | UTXVCHVLDOLVPC-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Hexyl Formate 98.0+%, TCI America™
CAS: 629-33-4 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00046146 InChI Key: OUGPMNMLWKSBRI-UHFFFAOYSA-N Synonym: n-hexyl formate,formic acid, hexyl ester,n-hexyl methanoate,hexyl methanoate,formic acid hexyl ester,hexyl formiate,unii-9gpu7pgv1g,fema no. 2570,9gpu7pgv1g,hexylformate PubChem CID: 61177 IUPAC Name: hexyl formate SMILES: CCCCCCOC=O
| PubChem CID | 61177 |
|---|---|
| CAS | 629-33-4 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00046146 |
| SMILES | CCCCCCOC=O |
| Synonym | n-hexyl formate,formic acid, hexyl ester,n-hexyl methanoate,hexyl methanoate,formic acid hexyl ester,hexyl formiate,unii-9gpu7pgv1g,fema no. 2570,9gpu7pgv1g,hexylformate |
| IUPAC Name | hexyl formate |
| InChI Key | OUGPMNMLWKSBRI-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Iohexol (mixture of isomers) 98.0+%, TCI America™
CAS: 66108-95-0 Molecular Formula: C19H26I3N3O9 Molecular Weight (g/mol): 821.142 MDL Number: MFCD00077732 InChI Key: NTHXOOBQLCIOLC-UHFFFAOYSA-N PubChem CID: 3730 ChEBI: CHEBI:31709 IUPAC Name: 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide SMILES: CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
| PubChem CID | 3730 |
|---|---|
| CAS | 66108-95-0 |
| Molecular Weight (g/mol) | 821.142 |
| ChEBI | CHEBI:31709 |
| MDL Number | MFCD00077732 |
| SMILES | CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I |
| IUPAC Name | 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide |
| InChI Key | NTHXOOBQLCIOLC-UHFFFAOYSA-N |
| Molecular Formula | C19H26I3N3O9 |
1-Methyl-1-cyclohexanecarboxylic Acid 99.0+%, TCI America™
CAS: 1123-25-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00001463 InChI Key: REHQLKUNRPCYEW-UHFFFAOYSA-N Synonym: 1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference PubChem CID: 70744 IUPAC Name: 1-methylcyclohexane-1-carboxylic acid SMILES: CC1(CCCCC1)C(=O)O
| PubChem CID | 70744 |
|---|---|
| CAS | 1123-25-7 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00001463 |
| SMILES | CC1(CCCCC1)C(=O)O |
| Synonym | 1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference |
| IUPAC Name | 1-methylcyclohexane-1-carboxylic acid |
| InChI Key | REHQLKUNRPCYEW-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Ethylene Glycol Bis(2-aminoethyl Ether)-N,N,N',N'-tetraacetic Acid 96.0+%, TCI America™
CAS: 67-42-5 Molecular Formula: C14H24N2O10 Molecular Weight (g/mol): 380.35 MDL Number: MFCD00004291 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 |
| MDL Number | MFCD00004291 |
| 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 |
Tri-p-cresyl Phosphate 98.0+%, TCI America™
CAS: 78-32-0 Molecular Formula: C21H21O4P Molecular Weight (g/mol): 368.37 MDL Number: MFCD00041908 InChI Key: BOSMZFBHAYFUBJ-UHFFFAOYSA-N Synonym: tri-p-cresyl phosphate,tri-p-tolyl phosphate,tris 4-methylphenyl phosphate,tpcp,phosphoric acid, tris 4-methylphenyl ester,phosphoric acid, tri-p-tolyl ester,phosphoric acid, tri 4-tolyl ester,phosphoric acid, tris methylphenyl ester,p-tolyl phosphate c7h7o 3po,tris-p-tolyl phosphate PubChem CID: 6529 IUPAC Name: tris(4-methylphenyl) phosphate SMILES: CC1=CC=C(OP(=O)(OC2=CC=C(C)C=C2)OC2=CC=C(C)C=C2)C=C1
| PubChem CID | 6529 |
|---|---|
| CAS | 78-32-0 |
| Molecular Weight (g/mol) | 368.37 |
| MDL Number | MFCD00041908 |
| SMILES | CC1=CC=C(OP(=O)(OC2=CC=C(C)C=C2)OC2=CC=C(C)C=C2)C=C1 |
| Synonym | tri-p-cresyl phosphate,tri-p-tolyl phosphate,tris 4-methylphenyl phosphate,tpcp,phosphoric acid, tris 4-methylphenyl ester,phosphoric acid, tri-p-tolyl ester,phosphoric acid, tri 4-tolyl ester,phosphoric acid, tris methylphenyl ester,p-tolyl phosphate c7h7o 3po,tris-p-tolyl phosphate |
| IUPAC Name | tris(4-methylphenyl) phosphate |
| InChI Key | BOSMZFBHAYFUBJ-UHFFFAOYSA-N |
| Molecular Formula | C21H21O4P |
N,N-Dimethylpropionamide 98.0+%, TCI America™
CAS: 758-96-3 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.149 MDL Number: MFCD00009301 InChI Key: MBHINSULENHCMF-UHFFFAOYSA-N Synonym: n,n-dimethylpropionamide,propanamide, n,n-dimethyl,dimethylamide of propionic acid,propionamide, n,n-dimethyl,n,n-dimethyl propionamide,acmc-209p0o,propionic acid dimethylamide,4-04-00-00184 beilstein handbook reference,ksc494e1j PubChem CID: 12965 IUPAC Name: N,N-dimethylpropanamide SMILES: CCC(=O)N(C)C
| PubChem CID | 12965 |
|---|---|
| CAS | 758-96-3 |
| Molecular Weight (g/mol) | 101.149 |
| MDL Number | MFCD00009301 |
| SMILES | CCC(=O)N(C)C |
| Synonym | n,n-dimethylpropionamide,propanamide, n,n-dimethyl,dimethylamide of propionic acid,propionamide, n,n-dimethyl,n,n-dimethyl propionamide,acmc-209p0o,propionic acid dimethylamide,4-04-00-00184 beilstein handbook reference,ksc494e1j |
| IUPAC Name | N,N-dimethylpropanamide |
| InChI Key | MBHINSULENHCMF-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
N,N'-Methylenebisacrylamide 98.0+%, TCI America™
CAS: 110-26-9 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.169 MDL Number: MFCD00008625 InChI Key: ZIUHHBKFKCYYJD-UHFFFAOYSA-N Synonym: n,n'-methylenebisacrylamide,n,n'-methylenediacrylamide,n,n'-methylene-bis-acrylamide,methylenebisacrylamide,methylenediacrylamide,2-propenamide, n,n'-methylenebis,bis-acrylamide,n,n'-methylenebis acrylamide,n,n'-methylidenebisacrylamide,bisacrylamide PubChem CID: 8041 IUPAC Name: N-[(prop-2-enoylamino)methyl]prop-2-enamide SMILES: C=CC(=O)NCNC(=O)C=C
| PubChem CID | 8041 |
|---|---|
| CAS | 110-26-9 |
| Molecular Weight (g/mol) | 154.169 |
| MDL Number | MFCD00008625 |
| SMILES | C=CC(=O)NCNC(=O)C=C |
| Synonym | n,n'-methylenebisacrylamide,n,n'-methylenediacrylamide,n,n'-methylene-bis-acrylamide,methylenebisacrylamide,methylenediacrylamide,2-propenamide, n,n'-methylenebis,bis-acrylamide,n,n'-methylenebis acrylamide,n,n'-methylidenebisacrylamide,bisacrylamide |
| IUPAC Name | N-[(prop-2-enoylamino)methyl]prop-2-enamide |
| InChI Key | ZIUHHBKFKCYYJD-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2 |
2,2,2-Trifluoro-N,N-dimethylacetamide 98.0+%, TCI America™
CAS: 1547-87-1 Molecular Formula: C4H6F3NO Molecular Weight (g/mol): 141.09 MDL Number: MFCD00043555 InChI Key: WXBWKMLIVXELSF-UHFFFAOYSA-N PubChem CID: 350491 IUPAC Name: 2,2,2-trifluoro-N,N-dimethylacetamide SMILES: CN(C)C(=O)C(F)(F)F
| PubChem CID | 350491 |
|---|---|
| CAS | 1547-87-1 |
| Molecular Weight (g/mol) | 141.09 |
| MDL Number | MFCD00043555 |
| SMILES | CN(C)C(=O)C(F)(F)F |
| IUPAC Name | 2,2,2-trifluoro-N,N-dimethylacetamide |
| InChI Key | WXBWKMLIVXELSF-UHFFFAOYSA-N |
| Molecular Formula | C4H6F3NO |
1,1-Ethanediol Diacetate 98.0+%, TCI America™
CAS: 542-10-9 Molecular Formula: C6H10O4 Molecular Weight (g/mol): 146.142 MDL Number: MFCD00014980 InChI Key: ACKALUBLCWJVNB-UHFFFAOYSA-N Synonym: ethylidene diacetate,1,1-diacetoxyethane,1,1-ethanediol diacetate,1,1-ethanediol, diacetate,ethylidene acetate,ethane-1,1-diyl diacetate,polyoxymethylenes,delrin,unii-kl1s8v6w25,1-acetoxyethyl acetate PubChem CID: 222536 IUPAC Name: 1-acetyloxyethyl acetate SMILES: CC(OC(=O)C)OC(=O)C
| PubChem CID | 222536 |
|---|---|
| CAS | 542-10-9 |
| Molecular Weight (g/mol) | 146.142 |
| MDL Number | MFCD00014980 |
| SMILES | CC(OC(=O)C)OC(=O)C |
| Synonym | ethylidene diacetate,1,1-diacetoxyethane,1,1-ethanediol diacetate,1,1-ethanediol, diacetate,ethylidene acetate,ethane-1,1-diyl diacetate,polyoxymethylenes,delrin,unii-kl1s8v6w25,1-acetoxyethyl acetate |
| IUPAC Name | 1-acetyloxyethyl acetate |
| InChI Key | ACKALUBLCWJVNB-UHFFFAOYSA-N |
| Molecular Formula | C6H10O4 |
Triethyl Phosphate 99.0+%, TCI America™
CAS: 78-40-0 Molecular Formula: C6H15O4P Molecular Weight (g/mol): 182.16 MDL Number: MFCD00009077 InChI Key: DQWPFSLDHJDLRL-UHFFFAOYSA-N Synonym: triethylphosphate,phosphoric acid, triethyl ester,tris ethyl phosphate,triethoxyphosphine oxide,triethylfosfat,ethyl phosphate eto 3po,triethylfosfat czech,ethyl phosphate van,unii-qih4k96k7j,phosphoric acid triethyl ester PubChem CID: 6535 ChEBI: CHEBI:45927 IUPAC Name: triethyl phosphate SMILES: CCOP(=O)(OCC)OCC
| PubChem CID | 6535 |
|---|---|
| CAS | 78-40-0 |
| Molecular Weight (g/mol) | 182.16 |
| ChEBI | CHEBI:45927 |
| MDL Number | MFCD00009077 |
| SMILES | CCOP(=O)(OCC)OCC |
| Synonym | triethylphosphate,phosphoric acid, triethyl ester,tris ethyl phosphate,triethoxyphosphine oxide,triethylfosfat,ethyl phosphate eto 3po,triethylfosfat czech,ethyl phosphate van,unii-qih4k96k7j,phosphoric acid triethyl ester |
| IUPAC Name | triethyl phosphate |
| InChI Key | DQWPFSLDHJDLRL-UHFFFAOYSA-N |
| Molecular Formula | C6H15O4P |
Domperidone 98.0+%, TCI America™
CAS: 57808-66-9 Molecular Formula: C22H24ClN5O2 Molecular Weight (g/mol): 425.917 MDL Number: MFCD00069256 InChI Key: FGXWKSZFVQUSTL-UHFFFAOYSA-N Synonym: domperidone,motilium,nauzelin,domperidonum,domperidona,domperidon,domperidonum inn-latin,domperidona inn-spanish,motillium,motinorm PubChem CID: 3151 ChEBI: CHEBI:31515 IUPAC Name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one SMILES: C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O
| PubChem CID | 3151 |
|---|---|
| CAS | 57808-66-9 |
| Molecular Weight (g/mol) | 425.917 |
| ChEBI | CHEBI:31515 |
| MDL Number | MFCD00069256 |
| SMILES | C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O |
| Synonym | domperidone,motilium,nauzelin,domperidonum,domperidona,domperidon,domperidonum inn-latin,domperidona inn-spanish,motillium,motinorm |
| IUPAC Name | 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one |
| InChI Key | FGXWKSZFVQUSTL-UHFFFAOYSA-N |
| Molecular Formula | C22H24ClN5O2 |
Trifluoroacetic Anhydride 98.0+%, TCI America™
CAS: 407-25-0 Molecular Formula: C4F6O3 Molecular Weight (g/mol): 210.03 MDL Number: MFCD00000416 InChI Key: QAEDZJGFFMLHHQ-UHFFFAOYSA-N Synonym: trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove PubChem CID: 9845 IUPAC Name: 2,2,2-trifluoroacetyl 2,2,2-trifluoroacetate SMILES: FC(F)(F)C(=O)OC(=O)C(F)(F)F
| PubChem CID | 9845 |
|---|---|
| CAS | 407-25-0 |
| Molecular Weight (g/mol) | 210.03 |
| MDL Number | MFCD00000416 |
| SMILES | FC(F)(F)C(=O)OC(=O)C(F)(F)F |
| Synonym | trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove |
| IUPAC Name | 2,2,2-trifluoroacetyl 2,2,2-trifluoroacetate |
| InChI Key | QAEDZJGFFMLHHQ-UHFFFAOYSA-N |
| Molecular Formula | C4F6O3 |
Triethylsilyl Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 79271-56-0 Molecular Formula: C7H15F3O3SSi Molecular Weight (g/mol): 264.33 MDL Number: MFCD00000407 InChI Key: STMPXDBGVJZCEX-UHFFFAOYSA-N Synonym: triethylsilyl triflate,triethylsilyl trifluoromethanesulphonate,tes triflate,triethylsilyltriflate,triethylsilyltrifluoromethanesulfonate,trifluoromethanesulfonic acid triethylsilyl ester,1,1,1-triethylsilyl trifluoromethanesulfonate,methanesulfonic acid, trifluoro-, triethylsilyl ester,et3siotf,tesotf PubChem CID: 2733308 IUPAC Name: triethylsilyl trifluoromethanesulfonate SMILES: CC[Si](CC)(CC)OS(=O)(=O)C(F)(F)F
| PubChem CID | 2733308 |
|---|---|
| CAS | 79271-56-0 |
| Molecular Weight (g/mol) | 264.33 |
| MDL Number | MFCD00000407 |
| SMILES | CC[Si](CC)(CC)OS(=O)(=O)C(F)(F)F |
| Synonym | triethylsilyl triflate,triethylsilyl trifluoromethanesulphonate,tes triflate,triethylsilyltriflate,triethylsilyltrifluoromethanesulfonate,trifluoromethanesulfonic acid triethylsilyl ester,1,1,1-triethylsilyl trifluoromethanesulfonate,methanesulfonic acid, trifluoro-, triethylsilyl ester,et3siotf,tesotf |
| IUPAC Name | triethylsilyl trifluoromethanesulfonate |
| InChI Key | STMPXDBGVJZCEX-UHFFFAOYSA-N |
| Molecular Formula | C7H15F3O3SSi |
2-Isocyanatoethyl Acrylate (stabilized with BHT) 98.0+%, TCI America™
CAS: 13641-96-8 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD11112219 InChI Key: DPNXHTDWGGVXID-UHFFFAOYSA-N Synonym: Acrylic Acid 2-Isocyanatoethyl Ester, 2-(Acryloyloxy)ethyl Isocyanate PubChem CID: 3014768 IUPAC Name: 2-isocyanatoethyl prop-2-enoate SMILES: C=CC(=O)OCCN=C=O
| PubChem CID | 3014768 |
|---|---|
| CAS | 13641-96-8 |
| Molecular Weight (g/mol) | 141.126 |
| MDL Number | MFCD11112219 |
| SMILES | C=CC(=O)OCCN=C=O |
| Synonym | Acrylic Acid 2-Isocyanatoethyl Ester, 2-(Acryloyloxy)ethyl Isocyanate |
| IUPAC Name | 2-isocyanatoethyl prop-2-enoate |
| InChI Key | DPNXHTDWGGVXID-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3 |