Carboxylic acids and derivatives
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Carbetapentane citrate
CAS: 23142-01-0 Molecular Formula: C26H39NO10 Molecular Weight (g/mol): 525.595 MDL Number: MFCD00055697 InChI Key: AKJDEXBCRLOVTH-UHFFFAOYSA-N Synonym: carbetapentane citrate,pentoxyverine citrate,loucarbate,pentoxiverine citrate,carbetapentane citrate salt,toclase,toclase citrate,carbetapentone citrate,unii-4sh0mfj5hj PubChem CID: 90010 IUPAC Name: 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
| PubChem CID | 90010 |
|---|---|
| CAS | 23142-01-0 |
| Molecular Weight (g/mol) | 525.595 |
| MDL Number | MFCD00055697 |
| SMILES | CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Synonym | carbetapentane citrate,pentoxyverine citrate,loucarbate,pentoxiverine citrate,carbetapentane citrate salt,toclase,toclase citrate,carbetapentone citrate,unii-4sh0mfj5hj |
| IUPAC Name | 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | AKJDEXBCRLOVTH-UHFFFAOYSA-N |
| Molecular Formula | C26H39NO10 |
Valeramide, 97%
CAS: 626-97-1 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.149 MDL Number: MFCD00041895 InChI Key: IPWFJLQDVFKJDU-UHFFFAOYSA-N Synonym: valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard PubChem CID: 12298 ChEBI: CHEBI:16459 IUPAC Name: pentanamide SMILES: CCCCC(=O)N
| PubChem CID | 12298 |
|---|---|
| CAS | 626-97-1 |
| Molecular Weight (g/mol) | 101.149 |
| ChEBI | CHEBI:16459 |
| MDL Number | MFCD00041895 |
| SMILES | CCCCC(=O)N |
| Synonym | valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard |
| IUPAC Name | pentanamide |
| InChI Key | IPWFJLQDVFKJDU-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
Isopropyl Palmitate, NF, 90%, Spectrum™ Chemical
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CAS: 142-91-6 Molecular Formula: C19H38O2 Molecular Weight (g/mol): 298.51 MDL Number: MFCD00008993 InChI Key: XUGNVMKQXJXZCD-UHFFFAOYSA-N IUPAC Name: propan-2-yl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC(C)C
| CAS | 142-91-6 |
|---|---|
| Molecular Weight (g/mol) | 298.51 |
| MDL Number | MFCD00008993 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(C)C |
| IUPAC Name | propan-2-yl hexadecanoate |
| InChI Key | XUGNVMKQXJXZCD-UHFFFAOYSA-N |
| Molecular Formula | C19H38O2 |
2-Carbamoylbenzeneboronic acid, 96%
CAS: 380430-54-6 Molecular Formula: C7H8BNO3 Molecular Weight (g/mol): 164.955 MDL Number: MFCD02179454 InChI Key: LBWJTKOVBMVJJX-UHFFFAOYSA-N Synonym: 2-aminocarbonylphenylboronic acid,2-carbamoylphenyl boronic acid,2-carbamoylbenzeneboronic acid,2-aminocarbonyl benzeneboronic acid,2-boronobenzamide,boronic acid, 2-aminocarbonyl phenyl,2-aminocarbonylphenyl boronic acid,2-aminocarbonyl phenylboronic acid,boronic acid,b-2-aminocarbonyl phenyl,pubchem1766 PubChem CID: 2737809 IUPAC Name: (2-carbamoylphenyl)boronic acid SMILES: B(C1=CC=CC=C1C(=O)N)(O)O
| PubChem CID | 2737809 |
|---|---|
| CAS | 380430-54-6 |
| Molecular Weight (g/mol) | 164.955 |
| MDL Number | MFCD02179454 |
| SMILES | B(C1=CC=CC=C1C(=O)N)(O)O |
| Synonym | 2-aminocarbonylphenylboronic acid,2-carbamoylphenyl boronic acid,2-carbamoylbenzeneboronic acid,2-aminocarbonyl benzeneboronic acid,2-boronobenzamide,boronic acid, 2-aminocarbonyl phenyl,2-aminocarbonylphenyl boronic acid,2-aminocarbonyl phenylboronic acid,boronic acid,b-2-aminocarbonyl phenyl,pubchem1766 |
| IUPAC Name | (2-carbamoylphenyl)boronic acid |
| InChI Key | LBWJTKOVBMVJJX-UHFFFAOYSA-N |
| Molecular Formula | C7H8BNO3 |
Ethyl 1-naphthoate, 97%
CAS: 3007-97-4 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00016805 InChI Key: XCTLDQQOHIEUCJ-UHFFFAOYSA-N Synonym: ethyl 1-naphthoate,ethyl alpha-naphthoate,1-naphthoic acid, ethyl ester,ethyl alfa-naphthoate,1-naphthalenecarboxylic acid, ethyl ester,1-naphthoic acid ethyl ester,naphthalene-1-carboxylic acid ethyl ester,ethyl naphthalenecarboxylate,ethyl a-naphthoate,ethylalpha-naphthoate PubChem CID: 76364 IUPAC Name: ethyl naphthalene-1-carboxylate SMILES: CCOC(=O)C1=CC=CC2=CC=CC=C21
| PubChem CID | 76364 |
|---|---|
| CAS | 3007-97-4 |
| Molecular Weight (g/mol) | 200.237 |
| MDL Number | MFCD00016805 |
| SMILES | CCOC(=O)C1=CC=CC2=CC=CC=C21 |
| Synonym | ethyl 1-naphthoate,ethyl alpha-naphthoate,1-naphthoic acid, ethyl ester,ethyl alfa-naphthoate,1-naphthalenecarboxylic acid, ethyl ester,1-naphthoic acid ethyl ester,naphthalene-1-carboxylic acid ethyl ester,ethyl naphthalenecarboxylate,ethyl a-naphthoate,ethylalpha-naphthoate |
| IUPAC Name | ethyl naphthalene-1-carboxylate |
| InChI Key | XCTLDQQOHIEUCJ-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
Ethylenediaminetetraacetic Acid Magnesium Disodium Salt, Spectrum™ Chemical
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CAS: 14402-88-1
| CAS | 14402-88-1 |
|---|
(Ethylenedinitrilo)tetraacetic Acid Disodium, Dihydrate, Reagent, ACS, 99-101%, Spectrum™ Chemical
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CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L IUPAC Name: disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| 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 |
| IUPAC Name | disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate |
| InChI Key | OVBJJZOQPCKUOR-UHFFFAOYSA-L |
| Molecular Formula | C10H18N2Na2O10 |
Sodium Citrate, Anhydrous, Powder, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 68-04-2 Molecular Formula: C6H5Na3O7 Molecular Weight (g/mol): 258.07 MDL Number: MFCD00012462 InChI Key: HRXKRNGNAMMEHJ-UHFFFAOYSA-K IUPAC Name: trisodium 2-hydroxypropane-1,2,3-tricarboxylate SMILES: [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| CAS | 68-04-2 |
|---|---|
| Molecular Weight (g/mol) | 258.07 |
| MDL Number | MFCD00012462 |
| SMILES | [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| IUPAC Name | trisodium 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | HRXKRNGNAMMEHJ-UHFFFAOYSA-K |
| Molecular Formula | C6H5Na3O7 |
Edetate Disodium, Dihydrate, USP, 99-101%, Spectrum™ Chemical
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CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L IUPAC Name: disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| 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 |
| IUPAC Name | disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate |
| InChI Key | OVBJJZOQPCKUOR-UHFFFAOYSA-L |
| Molecular Formula | C10H18N2Na2O10 |
Ethyl 2-(bromomethyl)acrylate, 97%
CAS: 17435-72-2 Molecular Formula: C6H9BrO2 Molecular Weight (g/mol): 193.04 MDL Number: MFCD00031518 InChI Key: MTCMFVTVXAOHNQ-UHFFFAOYSA-N Synonym: ethyl 2-bromomethyl acrylate,ethyl 2-bromomethyl prop-2-enoate,2-bromomethyl acrylic acid ethyl ester,ethyl alpha-bromomethyl acrylate,2-propenoic acid, 2-bromomethyl-, ethyl ester,2-bromomethyl-acrylic acid ethyl ester,ethyl-2-bromomethylacrylate,ethyl 2-bromomethylacrylate,acmc-1bo78,ksc181c2b PubChem CID: 310620 IUPAC Name: ethyl 2-(bromomethyl)prop-2-enoate SMILES: CCOC(=O)C(=C)CBr
| PubChem CID | 310620 |
|---|---|
| CAS | 17435-72-2 |
| Molecular Weight (g/mol) | 193.04 |
| MDL Number | MFCD00031518 |
| SMILES | CCOC(=O)C(=C)CBr |
| Synonym | ethyl 2-bromomethyl acrylate,ethyl 2-bromomethyl prop-2-enoate,2-bromomethyl acrylic acid ethyl ester,ethyl alpha-bromomethyl acrylate,2-propenoic acid, 2-bromomethyl-, ethyl ester,2-bromomethyl-acrylic acid ethyl ester,ethyl-2-bromomethylacrylate,ethyl 2-bromomethylacrylate,acmc-1bo78,ksc181c2b |
| IUPAC Name | ethyl 2-(bromomethyl)prop-2-enoate |
| InChI Key | MTCMFVTVXAOHNQ-UHFFFAOYSA-N |
| Molecular Formula | C6H9BrO2 |
Isobutyl methacrylate, 99.5+%, stab. with 10ppm 4-methoxyphenol
CAS: 97-86-9 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00008931,MFCD00084435 InChI Key: RUMACXVDVNRZJZ-UHFFFAOYSA-N Synonym: isobutyl methacrylate,2-propenoic acid, 2-methyl-, 2-methylpropyl ester,methacrylic acid, isobutyl ester,isobutyl 2-methyl-2-propenoate,2-methylpropyl methacrylate,isobutyl alpha-methacrylate,isobutyl alpha-methylacrylate,unii-v11534uyz0,ccris 4829,isobutylester kyseliny methakrylove PubChem CID: 7352 IUPAC Name: 2-methylpropyl 2-methylprop-2-enoate SMILES: CC(C)COC(=O)C(C)=C
| PubChem CID | 7352 |
|---|---|
| CAS | 97-86-9 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00008931,MFCD00084435 |
| SMILES | CC(C)COC(=O)C(C)=C |
| Synonym | isobutyl methacrylate,2-propenoic acid, 2-methyl-, 2-methylpropyl ester,methacrylic acid, isobutyl ester,isobutyl 2-methyl-2-propenoate,2-methylpropyl methacrylate,isobutyl alpha-methacrylate,isobutyl alpha-methylacrylate,unii-v11534uyz0,ccris 4829,isobutylester kyseliny methakrylove |
| IUPAC Name | 2-methylpropyl 2-methylprop-2-enoate |
| InChI Key | RUMACXVDVNRZJZ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Methyl difluoroacetate, 98%
CAS: 433-53-4 Molecular Formula: C3H4F2O2 Molecular Weight (g/mol): 110.06 MDL Number: MFCD00039276 InChI Key: CSSYKHYGURSRAZ-UHFFFAOYSA-N Synonym: methyl difluoroacetate,methyl2,2-difluoroacetate,difluoroacetic acid methyl ester,acetic acid, difluoro-, methyl ester,methyldifluoroacetate,methyl difluoroacetate #,acmc-209ju0,methyl 2,2-difluoroethanoate PubChem CID: 79012 IUPAC Name: methyl 2,2-difluoroacetate SMILES: COC(=O)C(F)F
| PubChem CID | 79012 |
|---|---|
| CAS | 433-53-4 |
| Molecular Weight (g/mol) | 110.06 |
| MDL Number | MFCD00039276 |
| SMILES | COC(=O)C(F)F |
| Synonym | methyl difluoroacetate,methyl2,2-difluoroacetate,difluoroacetic acid methyl ester,acetic acid, difluoro-, methyl ester,methyldifluoroacetate,methyl difluoroacetate #,acmc-209ju0,methyl 2,2-difluoroethanoate |
| IUPAC Name | methyl 2,2-difluoroacetate |
| InChI Key | CSSYKHYGURSRAZ-UHFFFAOYSA-N |
| Molecular Formula | C3H4F2O2 |
Methyl trifluoroacetate, 99%
CAS: 431-47-0 Molecular Formula: C3H3F3O2 Molecular Weight (g/mol): 128.05 MDL Number: MFCD00000417 InChI Key: VMVNZNXAVJHNDJ-UHFFFAOYSA-N Synonym: methyl trifluoroacetate,trifluoroacetic acid methyl ester,acetic acid, trifluoro-, methyl ester,methyltrifluoroacetate,2,2,2-trifluoromethylacetate,acetic acid, 2,2,2-trifluoro-, methyl ester,methyl trifluoracetate,tfamt,methyl triflouroacetate,pubchem12490 PubChem CID: 9893 IUPAC Name: methyl 2,2,2-trifluoroacetate SMILES: COC(=O)C(F)(F)F
| PubChem CID | 9893 |
|---|---|
| CAS | 431-47-0 |
| Molecular Weight (g/mol) | 128.05 |
| MDL Number | MFCD00000417 |
| SMILES | COC(=O)C(F)(F)F |
| Synonym | methyl trifluoroacetate,trifluoroacetic acid methyl ester,acetic acid, trifluoro-, methyl ester,methyltrifluoroacetate,2,2,2-trifluoromethylacetate,acetic acid, 2,2,2-trifluoro-, methyl ester,methyl trifluoracetate,tfamt,methyl triflouroacetate,pubchem12490 |
| IUPAC Name | methyl 2,2,2-trifluoroacetate |
| InChI Key | VMVNZNXAVJHNDJ-UHFFFAOYSA-N |
| Molecular Formula | C3H3F3O2 |
Ethyl indole-3-acrylate, 97%
CAS: 15181-86-9 Molecular Formula: C13H13NO2 Molecular Weight (g/mol): 215.252 MDL Number: MFCD00051947 InChI Key: OQJSITNIWIYWPU-FPLPWBNLSA-N Synonym: ethyl 2z-3-1h-indol-3-yl prop-2-enoate PubChem CID: 13863197 IUPAC Name: ethyl (Z)-3-(1H-indol-3-yl)prop-2-enoate SMILES: CCOC(=O)C=CC1=CNC2=CC=CC=C21
| PubChem CID | 13863197 |
|---|---|
| CAS | 15181-86-9 |
| Molecular Weight (g/mol) | 215.252 |
| MDL Number | MFCD00051947 |
| SMILES | CCOC(=O)C=CC1=CNC2=CC=CC=C21 |
| Synonym | ethyl 2z-3-1h-indol-3-yl prop-2-enoate |
| IUPAC Name | ethyl (Z)-3-(1H-indol-3-yl)prop-2-enoate |
| InChI Key | OQJSITNIWIYWPU-FPLPWBNLSA-N |
| Molecular Formula | C13H13NO2 |
Methyle3,4-diaminobenzoate, 97%, Thermo Scientific™
CAS: 36692-49-6 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00017098 InChI Key: IOPLHGOSNCJOOO-UHFFFAOYSA-N Synonym: 3,4-diaminobenzoic acid methyl ester,methyl3,4-diaminobenzoate,methyl-3,4-diaminobenzoate,benzoic acid, 3,4-diamino-, methyl ester,3,4-diamino-benzoic acid methyl ester,methyl 3,4-diaminobenzenecarboxylate,pubchem4610,acmc-1bn7s,methyl 3,4-diamino-benzoate,methyl-3,4-diamino-benzoate PubChem CID: 135524 IUPAC Name: methyl 3,4-diaminobenzoate SMILES: COC(=O)C1=CC=C(N)C(N)=C1
| PubChem CID | 135524 |
|---|---|
| CAS | 36692-49-6 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00017098 |
| SMILES | COC(=O)C1=CC=C(N)C(N)=C1 |
| Synonym | 3,4-diaminobenzoic acid methyl ester,methyl3,4-diaminobenzoate,methyl-3,4-diaminobenzoate,benzoic acid, 3,4-diamino-, methyl ester,3,4-diamino-benzoic acid methyl ester,methyl 3,4-diaminobenzenecarboxylate,pubchem4610,acmc-1bn7s,methyl 3,4-diamino-benzoate,methyl-3,4-diamino-benzoate |
| IUPAC Name | methyl 3,4-diaminobenzoate |
| InChI Key | IOPLHGOSNCJOOO-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |