Organic acids and derivatives
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2-Isopropyl-N,2,3-trimethylbutyramide 98.0+%, TCI America™
CAS: 51115-67-4 Molecular Formula: C10H21NO Molecular Weight (g/mol): 171.28 MDL Number: MFCD00130070 InChI Key: RWAXQWRDVUOOGG-UHFFFAOYSA-N Synonym: 2-isopropyl-n,2,3-trimethylbutyramide,2-isopropyl-n,2,3-trimethylbutanamide,trimethyl isopropyl butanamide,methyl diisopropyl propionamide,n,2,3-trimethyl-2-1-methylethyl butanamide,unii-6qop5a9489,n,2,3-trimethyl-2-isopropylbutanamide,n,2,3-trimethyl-2-isopropylbutamide,butanamide, n,2,3-trimethyl-2-1-methylethyl,n,2,3-trimethyl-2-propan-2-yl butanamide PubChem CID: 65300 IUPAC Name: N,2,3-trimethyl-2-(propan-2-yl)butanamide SMILES: CNC(=O)C(C)(C(C)C)C(C)C
| PubChem CID | 65300 |
|---|---|
| CAS | 51115-67-4 |
| Molecular Weight (g/mol) | 171.28 |
| MDL Number | MFCD00130070 |
| SMILES | CNC(=O)C(C)(C(C)C)C(C)C |
| Synonym | 2-isopropyl-n,2,3-trimethylbutyramide,2-isopropyl-n,2,3-trimethylbutanamide,trimethyl isopropyl butanamide,methyl diisopropyl propionamide,n,2,3-trimethyl-2-1-methylethyl butanamide,unii-6qop5a9489,n,2,3-trimethyl-2-isopropylbutanamide,n,2,3-trimethyl-2-isopropylbutamide,butanamide, n,2,3-trimethyl-2-1-methylethyl,n,2,3-trimethyl-2-propan-2-yl butanamide |
| IUPAC Name | N,2,3-trimethyl-2-(propan-2-yl)butanamide |
| InChI Key | RWAXQWRDVUOOGG-UHFFFAOYSA-N |
| Molecular Formula | C10H21NO |
2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 90.0+%, TCI America™
CAS: 166330-03-6 Molecular Formula: C7H14BBrO2 Molecular Weight (g/mol): 220.90 MDL Number: MFCD09271779 InChI Key: KBGMAXNDJAGTDD-UHFFFAOYSA-N Synonym: (Bromomethyl)boronic Acid Pinacol Ester PubChem CID: 10955110 IUPAC Name: 2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(CBr)OC1(C)C
| PubChem CID | 10955110 |
|---|---|
| CAS | 166330-03-6 |
| Molecular Weight (g/mol) | 220.90 |
| MDL Number | MFCD09271779 |
| SMILES | CC1(C)OB(CBr)OC1(C)C |
| Synonym | (Bromomethyl)boronic Acid Pinacol Ester |
| IUPAC Name | 2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | KBGMAXNDJAGTDD-UHFFFAOYSA-N |
| Molecular Formula | C7H14BBrO2 |
Propyl Gallate 98.0+%, TCI America™
CAS: 121-79-9 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00002196 InChI Key: ZTHYODDOHIVTJV-UHFFFAOYSA-N Synonym: propyl gallate,n-propyl gallate,progallin p,tenox pg,nipagallin p,gallic acid, propyl ester,gallic acid propyl ester,nipa 49,benzoic acid, 3,4,5-trihydroxy-, propyl ester,3,4,5-trihydroxybenzene-1-propylcarboxylate PubChem CID: 4947 ChEBI: CHEBI:10607 IUPAC Name: propyl 3,4,5-trihydroxybenzoate SMILES: CCCOC(=O)C1=CC(=C(C(=C1)O)O)O
| PubChem CID | 4947 |
|---|---|
| CAS | 121-79-9 |
| Molecular Weight (g/mol) | 212.201 |
| ChEBI | CHEBI:10607 |
| MDL Number | MFCD00002196 |
| SMILES | CCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| Synonym | propyl gallate,n-propyl gallate,progallin p,tenox pg,nipagallin p,gallic acid, propyl ester,gallic acid propyl ester,nipa 49,benzoic acid, 3,4,5-trihydroxy-, propyl ester,3,4,5-trihydroxybenzene-1-propylcarboxylate |
| IUPAC Name | propyl 3,4,5-trihydroxybenzoate |
| InChI Key | ZTHYODDOHIVTJV-UHFFFAOYSA-N |
| Molecular Formula | C10H12O5 |
4-Butylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 145240-28-4 Molecular Formula: C10H15BO2 Molecular Weight (g/mol): 178.038 MDL Number: MFCD02093926 InChI Key: UGZUUTHZEATQAM-UHFFFAOYSA-N PubChem CID: 4100860 IUPAC Name: (4-butylphenyl)boronic acid SMILES: B(C1=CC=C(C=C1)CCCC)(O)O
| PubChem CID | 4100860 |
|---|---|
| CAS | 145240-28-4 |
| Molecular Weight (g/mol) | 178.038 |
| MDL Number | MFCD02093926 |
| SMILES | B(C1=CC=C(C=C1)CCCC)(O)O |
| IUPAC Name | (4-butylphenyl)boronic acid |
| InChI Key | UGZUUTHZEATQAM-UHFFFAOYSA-N |
| Molecular Formula | C10H15BO2 |
trans-4-Propylcyclohexyl trans,trans-4'-Propylbicyclohexyl-4-carboxylate 98.0+%, TCI America™
CAS: 83242-83-5 Molecular Formula: C25H44O2 Molecular Weight (g/mol): 376.625 MDL Number: MFCD20527218 InChI Key: ITVBZSWXRMMPFS-UHFFFAOYSA-N Synonym: 4-propylcyclohexyl 4-4-propylcyclohexyl cyclohexane-1-carboxylate,4-propylcyclohexyl trans trans trans-4'-propyl 1,1'-bicyclohexyl-4-carboxylate,trans-4-propylcyclohexyl trans,trans-4'-propylbicyclohexyl-4-carboxylate,trans,trans-trans-4-propylcyclohexyl 4'-propyl-1,1'-bi cyclohexane-4-carboxylate,4-propylcyclohexyl trans trans trans-4-propyl 1,1-bicyclohexyl-4-carboxylate,trans,trans-4'-propylbicyclohexyl-4-carboxylic acid trans-4-propylcyclohexyl ester,trans-4-n-propylcyclohexyl trans,trans-4'-n-propylbicyclohexyl-4-carboxylate,1s,4r-4-propylcyclohexyl 1r,1's,4r,4'r-4'-propyl-1,1'-bi cyclohexane-4-carboxylate,1,1'-bicyclohexyl-4-carboxylic acid, 4'-propyl-, 4-propylcyclohexyl ester, trans trans trans,1,1'-bicyclohexyl-4-carboxylicacid, 4'-propyl-, trans-4-propylcyclohexyl ester, trans,trans PubChem CID: 550127 IUPAC Name: (4-propylcyclohexyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate SMILES: CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC
| PubChem CID | 550127 |
|---|---|
| CAS | 83242-83-5 |
| Molecular Weight (g/mol) | 376.625 |
| MDL Number | MFCD20527218 |
| SMILES | CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC |
| Synonym | 4-propylcyclohexyl 4-4-propylcyclohexyl cyclohexane-1-carboxylate,4-propylcyclohexyl trans trans trans-4'-propyl 1,1'-bicyclohexyl-4-carboxylate,trans-4-propylcyclohexyl trans,trans-4'-propylbicyclohexyl-4-carboxylate,trans,trans-trans-4-propylcyclohexyl 4'-propyl-1,1'-bi cyclohexane-4-carboxylate,4-propylcyclohexyl trans trans trans-4-propyl 1,1-bicyclohexyl-4-carboxylate,trans,trans-4'-propylbicyclohexyl-4-carboxylic acid trans-4-propylcyclohexyl ester,trans-4-n-propylcyclohexyl trans,trans-4'-n-propylbicyclohexyl-4-carboxylate,1s,4r-4-propylcyclohexyl 1r,1's,4r,4'r-4'-propyl-1,1'-bi cyclohexane-4-carboxylate,1,1'-bicyclohexyl-4-carboxylic acid, 4'-propyl-, 4-propylcyclohexyl ester, trans trans trans,1,1'-bicyclohexyl-4-carboxylicacid, 4'-propyl-, trans-4-propylcyclohexyl ester, trans,trans |
| IUPAC Name | (4-propylcyclohexyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate |
| InChI Key | ITVBZSWXRMMPFS-UHFFFAOYSA-N |
| Molecular Formula | C25H44O2 |
Benzo[b]thiophene-3-boronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 113893-08-6 Molecular Formula: C8H7BO2S Molecular Weight (g/mol): 178.012 MDL Number: MFCD01114669 InChI Key: QVANIYYVZZLQJP-UHFFFAOYSA-N PubChem CID: 2776344 IUPAC Name: 1-benzothiophen-3-ylboronic acid SMILES: B(C1=CSC2=CC=CC=C12)(O)O
| PubChem CID | 2776344 |
|---|---|
| CAS | 113893-08-6 |
| Molecular Weight (g/mol) | 178.012 |
| MDL Number | MFCD01114669 |
| SMILES | B(C1=CSC2=CC=CC=C12)(O)O |
| IUPAC Name | 1-benzothiophen-3-ylboronic acid |
| InChI Key | QVANIYYVZZLQJP-UHFFFAOYSA-N |
| Molecular Formula | C8H7BO2S |
2-Methyl-1-naphthyl Acetate 98.0+%, TCI America™
CAS: 5697-02-9 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 InChI Key: WVOAPRDRMLHUMI-UHFFFAOYSA-N Synonym: Acetic Acid 2-Methyl-1-naphthyl Ester, 1-Acetoxy-2-methylnaphthalene PubChem CID: 11805727 IUPAC Name: (2-methylnaphthalen-1-yl) acetate SMILES: CC1=C(C2=CC=CC=C2C=C1)OC(=O)C
| PubChem CID | 11805727 |
|---|---|
| CAS | 5697-02-9 |
| Molecular Weight (g/mol) | 200.24 |
| SMILES | CC1=C(C2=CC=CC=C2C=C1)OC(=O)C |
| Synonym | Acetic Acid 2-Methyl-1-naphthyl Ester, 1-Acetoxy-2-methylnaphthalene |
| IUPAC Name | (2-methylnaphthalen-1-yl) acetate |
| InChI Key | WVOAPRDRMLHUMI-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
1-Phenyl-1-cyclopropanecarboxylic Acid 98.0+%, TCI America™
CAS: 6120-95-2 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00001288 InChI Key: IWWCCNVRNHTGLV-UHFFFAOYSA-N Synonym: 1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid PubChem CID: 80206 IUPAC Name: 1-phenylcyclopropane-1-carboxylic acid SMILES: C1CC1(C2=CC=CC=C2)C(=O)O
| PubChem CID | 80206 |
|---|---|
| CAS | 6120-95-2 |
| Molecular Weight (g/mol) | 162.188 |
| MDL Number | MFCD00001288 |
| SMILES | C1CC1(C2=CC=CC=C2)C(=O)O |
| Synonym | 1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid |
| IUPAC Name | 1-phenylcyclopropane-1-carboxylic acid |
| InChI Key | IWWCCNVRNHTGLV-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
1,4-Phenylenediphosphonic Acid 98.0+%, TCI America™
CAS: 880-68-2 Molecular Formula: C6H8O6P2 Molecular Weight (g/mol): 238.07 MDL Number: MFCD00475582 InChI Key: JHDJUJAFXNIIIW-UHFFFAOYSA-N Synonym: 1,4-Benzenediphosphonic Acid PubChem CID: 2773663 IUPAC Name: (4-phosphonophenyl)phosphonic acid SMILES: OP(O)(=O)C1=CC=C(C=C1)P(O)(O)=O
| PubChem CID | 2773663 |
|---|---|
| CAS | 880-68-2 |
| Molecular Weight (g/mol) | 238.07 |
| MDL Number | MFCD00475582 |
| SMILES | OP(O)(=O)C1=CC=C(C=C1)P(O)(O)=O |
| Synonym | 1,4-Benzenediphosphonic Acid |
| IUPAC Name | (4-phosphonophenyl)phosphonic acid |
| InChI Key | JHDJUJAFXNIIIW-UHFFFAOYSA-N |
| Molecular Formula | C6H8O6P2 |
Diethyl Benzylidenemalonate 96.0+%, TCI America™
CAS: 5292-53-5 Molecular Formula: C14H16O4 Molecular Weight (g/mol): 248.28 MDL Number: MFCD00009149 InChI Key: VUWPIBNKJSEYIN-UHFFFAOYSA-N Synonym: diethyl benzylidenemalonate,diethyl benzalmalonate,diethyl 2-benzylidenemalonate,ethyl benzylidenemalonate,diethylbenzalmalonate,diethyl phenylmethylene malonate,malonic acid, benzylidene-, diethyl ester,diethylmalonate, benzal,benzylidenemalonic acid diethyl ester,propanedioic acid, phenylmethylene-, diethyl ester PubChem CID: 94751 IUPAC Name: 1,3-diethyl 2-(phenylmethylidene)propanedioate SMILES: CCOC(=O)C(=CC1=CC=CC=C1)C(=O)OCC
| PubChem CID | 94751 |
|---|---|
| CAS | 5292-53-5 |
| Molecular Weight (g/mol) | 248.28 |
| MDL Number | MFCD00009149 |
| SMILES | CCOC(=O)C(=CC1=CC=CC=C1)C(=O)OCC |
| Synonym | diethyl benzylidenemalonate,diethyl benzalmalonate,diethyl 2-benzylidenemalonate,ethyl benzylidenemalonate,diethylbenzalmalonate,diethyl phenylmethylene malonate,malonic acid, benzylidene-, diethyl ester,diethylmalonate, benzal,benzylidenemalonic acid diethyl ester,propanedioic acid, phenylmethylene-, diethyl ester |
| IUPAC Name | 1,3-diethyl 2-(phenylmethylidene)propanedioate |
| InChI Key | VUWPIBNKJSEYIN-UHFFFAOYSA-N |
| Molecular Formula | C14H16O4 |
Candesartan Cilexetil 98.0+%, TCI America™
CAS: 145040-37-5 Molecular Formula: C33H34N6O6 Molecular Weight (g/mol): 610.671 MDL Number: MFCD00871371 InChI Key: GHOSNRCGJFBJIB-UHFFFAOYSA-N Synonym: candesartan cilexetil,atacand,amias,parapres,kenzen,candesartan cilexetil usan,candesartan cilexitil,candesartan cilextil,chembl1014 PubChem CID: 2540 ChEBI: CHEBI:3348 IUPAC Name: 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6
| PubChem CID | 2540 |
|---|---|
| CAS | 145040-37-5 |
| Molecular Weight (g/mol) | 610.671 |
| ChEBI | CHEBI:3348 |
| MDL Number | MFCD00871371 |
| SMILES | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6 |
| Synonym | candesartan cilexetil,atacand,amias,parapres,kenzen,candesartan cilexetil usan,candesartan cilexitil,candesartan cilextil,chembl1014 |
| IUPAC Name | 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate |
| InChI Key | GHOSNRCGJFBJIB-UHFFFAOYSA-N |
| Molecular Formula | C33H34N6O6 |
Diisopropyl Sulfate 97.0+%, TCI America™
CAS: 2973-10-6 Molecular Formula: C6H14O4S Molecular Weight (g/mol): 182.23 MDL Number: MFCD01682898 InChI Key: HWBLTYHIEYOAOL-UHFFFAOYSA-N PubChem CID: 18096 ChEBI: CHEBI:82320 IUPAC Name: dipropan-2-yl sulfate SMILES: CC(C)OS(=O)(=O)OC(C)C
| PubChem CID | 18096 |
|---|---|
| CAS | 2973-10-6 |
| Molecular Weight (g/mol) | 182.23 |
| ChEBI | CHEBI:82320 |
| MDL Number | MFCD01682898 |
| SMILES | CC(C)OS(=O)(=O)OC(C)C |
| IUPAC Name | dipropan-2-yl sulfate |
| InChI Key | HWBLTYHIEYOAOL-UHFFFAOYSA-N |
| Molecular Formula | C6H14O4S |
3,4,5-Trimethoxybenzamide 98.0+%, TCI America™
CAS: 3086-62-2 Molecular Formula: C10H13NO4 Molecular Weight (g/mol): 211.217 MDL Number: MFCD00017129 InChI Key: GGNMTJKRHHLJHH-UHFFFAOYSA-N Synonym: benzamide, 3,4,5-trimethoxy,3,5-trimethoxybenzamide,cbmicro_005198,acmc-209hj6,4-10-00-02020 beilstein handbook reference,wln: zvr co1 do1 eo1,3,4,5-trimethoxybenzamide,3,4,5-trimethoxy benzamide PubChem CID: 18334 IUPAC Name: 3,4,5-trimethoxybenzamide SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N
| PubChem CID | 18334 |
|---|---|
| CAS | 3086-62-2 |
| Molecular Weight (g/mol) | 211.217 |
| MDL Number | MFCD00017129 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N |
| Synonym | benzamide, 3,4,5-trimethoxy,3,5-trimethoxybenzamide,cbmicro_005198,acmc-209hj6,4-10-00-02020 beilstein handbook reference,wln: zvr co1 do1 eo1,3,4,5-trimethoxybenzamide,3,4,5-trimethoxy benzamide |
| IUPAC Name | 3,4,5-trimethoxybenzamide |
| InChI Key | GGNMTJKRHHLJHH-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO4 |
Isovaleric Acid 99.0+%, TCI America™
CAS: 503-74-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00002726 InChI Key: GWYFCOCPABKNJV-UHFFFAOYSA-N Synonym: isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid PubChem CID: 10430 ChEBI: CHEBI:28484 IUPAC Name: 3-methylbutanoic acid SMILES: CC(C)CC(O)=O
| PubChem CID | 10430 |
|---|---|
| CAS | 503-74-2 |
| Molecular Weight (g/mol) | 102.13 |
| ChEBI | CHEBI:28484 |
| MDL Number | MFCD00002726 |
| SMILES | CC(C)CC(O)=O |
| Synonym | isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid |
| IUPAC Name | 3-methylbutanoic acid |
| InChI Key | GWYFCOCPABKNJV-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |