(S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride supplier

Name
(S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride
EINECS
CAS No. 270063-47-3
Density 1.395
Solubility
Melting Point
Formula C₁₀H₁₂Cl₃NO₂
Boiling Point 387.7 °C at 760 mmHg
Molecular Weight 284.57
Flash Point 188.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride;(3S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride (1:1);Benzenebutanoic acid, β-amino-2,4-dichloro-, (betaS)-, hydrochloride (1:1);(S)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid-HCl;TL8002164;
PSA 63.32000
LogP 3.84020

(S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride Specification

The (S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride, with the CAS registry number 270063-47-3, is also known as Benzenebutanoic acid, β-amino-2,4-dichloro-, (betaS)-, hydrochloride (1:1). 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 C₁₀H₁₂Cl₃NO₂ and molecular weight is 284.57. What's more, its systematic name is (3S)-3-amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride.

Physical properties of (S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1.81; (7)ACD/KOC (pH 7.4): 1.8; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 29.54 Å²; (12)Flash Point: 188.3 °C; (13)Enthalpy of Vaporization: 67.17 kJ/mol; (14)Boiling Point: 387.7 °C at 760 mmHg; (15)Vapour Pressure: 1.05E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1C[C@H](N)CC(=O)O.Cl
(2)InChI: InChI=1S/C10H11Cl2NO2.ClH/c11-7-2-1-6(9(12)4-7)3-8(13)5-10(14)15;/h1-2,4,8H,3,5,13H2,(H,14,15);1H/t8-;/m0./s1
(3)InChIKey: JNGZEMBEPQATGG-QRPNPIFTSA-N

Product Name

(S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride

(S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride Specification

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