(S)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride supplier

Name
(S)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride
EINECS
CAS No. 270063-53-1
Density 1.325
Solubility
Melting Point
Formula C₁₀H₁₂ClF₂NO₂
Boiling Point 333.9 °C at 760 mmHg
Molecular Weight 251.66
Flash Point 155.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride;(3S)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride (1:1);Benzenebutanoic acid, β-amino-3,4-difluoro-, (betaS)-, hydrochloride (1:1);(S)-3-Amino-4-(3,4-difluoro-phenyl)-butyric acid-HCl;TL8002166;
PSA 63.32000
LogP 2.81160

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

The (S)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride, with the CAS registry number 270063-53-1, is also known as Benzenebutanoic acid, β-amino-3,4-difluoro-, (betaS)-, hydrochloride (1:1). 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 (3S)-3-amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride.

Physical properties of (S)-3-Amino-4-(3,4-difluorophenyl)butanoic acid hydrochloride are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.15; (4)ACD/LogD (pH 7.4): -1.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 29.54 Å²; (11)Flash Point: 155.7 °C; (12)Enthalpy of Vaporization: 60.88 kJ/mol; (13)Boiling Point: 333.9 °C at 760 mmHg; (14)Vapour Pressure: 5.26E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1F)C[C@H](N)CC(=O)O.Cl
(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-;/m0./s1
(3)InChIKey: OWXYSJXKMBDHAS-FJXQXJEOSA-N

Product Name

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

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

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