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

Name
(S)-3-Amino-4-(3-thienyl)butanoic acid hydrochloride
EINECS
CAS No. 270262-99-2
Density 1.291
Solubility
Melting Point
Formula C₈H₁₂ClNO₂S
Boiling Point 340.9 °C at 760 mmHg
Molecular Weight 221.7
Flash Point 160 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Thiophenebutanoic acid, β-amino-, (betaS)-, hydrochloride (1:1);L-beta-Homo(3-thienyl)alanine hydrochloride;(3S)-3-Amino-4-(3-thienyl)butanoic acid hydrochloride;(3S)-3-Amino-4-(3-thienyl)butanoic acid hydrochloride (1:1);(S)-3-Amino-4-(3-thienyl)-butyric acid-HCl;
PSA 91.56000
LogP 2.59490

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

The (S)-3-Amino-4-(3-thienyl)butanoic acid hydrochloride, with the CAS registry number 270262-99-2, is also known as 3-Thiophenebutanoic acid, β-amino-, (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 C₈H₁₂ClNO₂S and molecular weight is 221.7. What's more, its systematic name is (3S)-3-amino-4-thiophen-3-ylbutanoic acid hydrochloride.

Physical properties of (S)-3-Amino-4-(3-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: 160 °C; (11)Enthalpy of Vaporization: 61.69 kJ/mol; (12)Boiling Point: 340.9 °C at 760 mmHg; (13)Vapour Pressure: 3.21E-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)Cc1ccsc1
(2)InChI: InChI=1S/C8H11NO2S.ClH/c9-7(4-8(10)11)3-6-1-2-12-5-6;/h1-2,5,7H,3-4,9H2,(H,10,11);1H/t7-;/m0./s1
(3)InChIKey: QDZZLMYYGBIDFT-FJXQXJEOSA-N

Product Name

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

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

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