| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: 2-phenylbutanoic acid 2-phenylbutanoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 101-97-3 , 4286-15-1 , 90-27-7 , 90-27-7 (phenylbutyric ac , 90-27-7 (phenylbutyric acid) , 938-79-4 , [90-27-7]
(+/-)-2-Phenylbutyric acid, 98%
(+/-)-alpha-Ethylphenylacetic acid
(S)-(+)-2-Phenylbutyric acid, 99%
(S)-(+)-?-Ethylphenylacetic acid
(S)-(+)-alpha-Ethylphenylacetic acid
(S)-(+)-^a-Ethylphenylacetic acid
2-PHENYL BUTYRAMIDE; [90-26-6]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.51 | 7.04 | -46.39 | 0 | 2 | -1 | 40 | 163.196 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 270-272? | Alfa-Aesar |
| Boiling_Point | 270-272° | Alfa-Aesar |
| BP | 272 | TCI |
| Melting_Point | 40-44? | Alfa-Aesar |
| Melting_Point | 40-44° | Alfa-Aesar |
| MP | 43 | TCI |
| MP | 48 - 50 | Enamine Building Blocks |
| MP | 48...50 | Enamine Building Blocks |
| MP | 83-85o C | Indofine |
| MP | 83-87 °C | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | APIChem |
| Therapy | antihyperlipidemic | SMDC MicroSource |
| PUBCHEM_PATENT_ID | EP0780730A2 | IBM Patent Data |
| SOLUBILITY | Soluble in sparingly in cold water:in boiling water & freely in methanol | Indofine |
