Basic Information | Post buying leads | Suppliers |
Name |
Benzenebutanoic acid, β-amino-3-chloro-, hydrochloride(1:1), (βR)- |
EINECS | N/A |
CAS No. | 331763-55-4 | Density | N/A |
PSA | 63.32000 | LogP | 3.18680 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H13Cl2NO2 | Boiling Point | 388.4 °C at 760 mmHg |
Molecular Weight | 250.12 | Flash Point | 188.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzenebutanoicacid, b-amino-3-chloro-, hydrochloride,(βR)- (9CI);(R)-3-Amino-4-(3-chlorophenyl)butanoicacid hydrochloride;(3R)-3-Amino-4-(3-chlorophenyl)butanoic acid hydrochloride;(R)-3-amino-4-(3-chloro-phenyl)-butyric acid-HCl;Benzenebutanoic acid, β-amino-3-chloro-, (βR)-, hydrochloride (1:1); |
The Benzenebutanoic acid, β-amino-3-chloro-, hydrochloride(1:1), (βR)-, with the CAS registry number 331763-55-4, is also known as (R)-3-amino-4-(3-chloro-phenyl)-butyric acid-HCl. It belongs to the product categories of 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C10H13Cl2NO2 and molecular weight is 250.12. What's more, its systematic name is (3R)-3-Amino-4-(3-chlorophenyl)butanoic acid hydrochloride.
Physical properties of Benzenebutanoic acid, β-amino-3-chloro-, hydrochloride(1:1), (βR)- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 63.32 Å2; (7)Flash Point: 188.7 °C; (8)Enthalpy of Vaporization: 67.25 kJ/mol; (9)Boiling Point: 388.4 °C at 760 mmHg; (10)Vapour Pressure: 9.95E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Clc1cc(C[C@@H](N)CC(O)=O)ccc1
(2)InChI: InChI=1S/C10H12ClNO2.ClH/c11-8-3-1-2-7(4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m1./s1
(3)InChIKey: MRFPEMYQUCEGDY-SBSPUUFOSA-N