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(R)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride

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Name

(R)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride

EINECS N/A
CAS No. 269396-58-9 Density 1.325
PSA 63.32000 LogP 2.81160
Solubility N/A Melting Point N/A
Formula C10H12ClF2NO2 Boiling Point 363.8 °C at 760 mmHg
Molecular Weight 215.2 Flash Point 173.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 269396-58-9 ((R)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride) Hazard Symbols N/A
Synonyms

(3R)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride;(3R)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride (1:1);Benzenebutanoic acid, β-amino-3,4-difluoro-, (betaR)-, hydrochloride (1:1);(R)-3-Amino-4-(3,4-difluoro-phenyl)-butyric acid-HCl;TL8002139;

 

(R)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride Specification

The (R)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride, with the CAS registry number 269396-58-9, is also known as (3R)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C10H12ClF2NO2 and molecular weight is 251.66. What's more, its systematic name is Benzenebutanoic acid, beta-amino-3,4-difluoro-, (betaR)-, hydrochloride (1:1).

Physical properties of (R)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride are: (1)ACD/LogP: 1.34; (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: 173.8 °C; (8)Enthalpy of Vaporization: 64.35 kJ/mol; (9)Boiling Point: 363.8 °C at 760 mmHg; (10)Vapour Pressure: 6.24E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Fc1ccc(C[C@@H](N)CC(O)=O)cc1F
(2)InChI: InChI=1S/C10H11F2NO2.ClH/c11-8-2-1-6(4-9(8)12)3-7(13)5-10(14)15;/h1-2,4,7H,3,5,13H2,(H,14,15);1H/t7-;/m1./s1
(3)InChIKey: OWXYSJXKMBDHAS-OGFXRTJISA-N

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