Basic Information | Post buying leads | Suppliers |
Name |
(S)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride |
EINECS | N/A |
CAS No. | 270065-70-8 | Density | 1.733±0.06 g/cm3(Predicted) |
PSA | 63.32000 | LogP | 3.13800 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H13ClINO2 | Boiling Point | 386.5 °C at 760 mmHg |
Molecular Weight | 341.57 | Flash Point | 187.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzenebutanoic acid, β-amino-4-iodo-, (betaS)-, hydrochloride (1:1);(3S)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride (1:1);(S)-3-Amino-4-(4-iodo-phenyl)-butyric acid-HCl; |
The (S)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride, with the CAS registry number 270065-70-8, is also known as Benzenebutanoic acid, β-amino-4-iodo-, (betaS)-, hydrochloride (1:1). It belongs to the product categories of 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs. This chemical's molecular formula is C10H13ClINO2 and molecular weight is 341.57. What's more, its systematic name is (3S)-3-amino-4-(4-iodophenyl)butanoic acid hydrochloride.
Physical properties of (S)-3-Amino-4-(4-iodophenyl)butanoic acid hydrochloride are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1.45; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 29.54 Å2; (10)Flash Point: 187.6 °C; (11)Enthalpy of Vaporization: 67.03 kJ/mol; (12)Boiling Point: 386.5 °C at 760 mmHg; (13)Vapour Pressure: 1.15E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)C[C@H](N)CC(=O)O.Cl
(2)InChI: InChI=1S/C10H12INO2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m0./s1
(3)InChIKey: OEKGKNIRLMPHEI-FVGYRXGTSA-N