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(S)-3-Amino-4-(2-thienyl)butanoic acid hydrochloride

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Name

(S)-3-Amino-4-(2-thienyl)butanoic acid hydrochloride

EINECS N/A
CAS No. 270065-91-3 Density 1.291
PSA 91.56000 LogP 2.59490
Solubility N/A Melting Point N/A
Formula C8H12ClNO2S Boiling Point 365.3 °C at 760 mmHg
Molecular Weight 221.7 Flash Point 174.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 270065-91-3 ((S)-3-Amino-4-(2-thienyl)butanoic acid hydrochloride) Hazard Symbols N/A
Synonyms

(S)-3-Amino-4-(2-thienyl)-butyric acid-HCl;(3S)-3-Amino-4-(2-thienyl)butanoic acid hydrochloride;(3S)-3-Amino-4-(2-thienyl)butanoic acid hydrochloride (1:1);(3S)-3-Amino-4-(thiophen-2-yl)butanoic acid hydrochloride;2-Thiophenebutanoic acid, β-amino-, (betaS)-, hydrochloride (1:1);TL8002152;

 

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

The (S)-3-Amino-4-(2-thienyl)butanoic acid hydrochloride, with the CAS registry number 270065-91-3, is also known as (3S)-3-Amino-4-(2-thienyl)butanoic acid hydrochloride (1:1). It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C8H12ClNO2S and molecular weight is 221.7. What's more, its systematic name is (3S)-3-amino-4-thiophen-2-ylbutanoic acid hydrochloride. It is irritant.

Physical properties of (S)-3-Amino-4-(2-thienyl)butanoic acid hydrochloride are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.49; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 57.78 Å2; (10)Flash Point: 157.5 °C; (11)Enthalpy of Vaporization: 61.22 kJ/mol; (12)Boiling Point: 336.9 °C at 760 mmHg; (13)Vapour Pressure: 4.27E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)C[C@H](N)Cc1sccc1
(2)InChI: InChI=1S/C8H11NO2S.ClH/c9-6(5-8(10)11)4-7-2-1-3-12-7;/h1-3,6H,4-5,9H2,(H,10,11);1H/t6-;/m1./s1
(3)InChIKey: DPMHHGFSWLCCBH-FYZOBXCZSA-N

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