Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-3-Amino-4-(4-bromophenyl)butyric acid hydrochloride |
EINECS | 200-258-5 |
CAS No. | 270062-84-5 | Density | 1.517±0.06 g/cm3(Predicted) |
PSA | 63.32000 | LogP | 3.29590 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H12BrNO2 | Boiling Point | 387.6 ºC at 760 mmHg |
Molecular Weight | 258.115 | Flash Point | 188.2 ºC |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(S)-3-Amino-4-(4-bromophenyl)butanoicacid; |
Article Data | 1 |
The (S)-3-Amino-4-(4-bromophenyl)butyric acid hydrochloride, with its CAS registry number 270062-84-5, has the systematic name of (3S)-3-amino-4-(4-bromophenyl)butanoic acid hydrochloride. And it has the product categories which are including 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino.
The characteristics of (S)-3-Amino-4-(4-bromophenyl)butyric acid hydrochloride are as follows: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.4; (4)ACD/LogD (pH 7.4): -0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.05; (8)ACD/KOC (pH 7.4): 1.05; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 ; (13)Flash Point: 188.2 °C; (14)Enthalpy of Vaporization: 67.15 kJ/mol; (15)Boiling Point: 387.6 °C at 760 mmHg; (16)Vapour Pressure: 1.06E-06 mmHg at 25°C.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:Brc1ccc(cc1)C[C@H](N)CC(=O)O.Cl
(2)InChI:InChI=1/C10H12BrNO2.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:QMUGXLUXLGZZSC-FVGYRXGTBL