(S)-3-Amino-4-(3-benzothienyl)butanoic acid supplier

Name
(S)-3-AMINO-4-(3-BENZOTHIENYL)BUTANOIC ACID HYDROCHLORIDE
EINECS
CAS No. 270063-44-0
Density 1.325
Solubility
Melting Point
Formula C₁₂H₁₄ClNO₂S
Boiling Point 433.6 °C at 760 mmHg
Molecular Weight 271.76
Flash Point 216.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S)-3-Amino-4-(1-benzothiophen-3-yl)butanoic acid hydrochloride (1:1);Benzo[b]thiophene-3-butanoic acid, β-amino-, (betaS)-, hydrochloride (1:1);(S)-3-Amino-4-(3-benzothienyl)-butyric acid-HCl;
PSA 91.56000
LogP 3.74810

(S)-3-Amino-4-(3-benzothienyl)butanoic acid Specification

The (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride, with the CAS registry number 270063-44-0, is also known as Benzo[b]thiophene-3-butanoic 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 C₁₂H₁₄ClNO₂S and molecular weight is 271.76. What's more, its systematic name is (3S)-3-amino-4-(1-benzothiophen-3-yl)butanoic acid hydrochloride.

Physical properties of (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 5.96; (6)ACD/KOC (pH 7.4): 5.98; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 57.78 Å²; (11)Flash Point: 216.1 °C; (12)Enthalpy of Vaporization: 72.69 kJ/mol; (13)Boiling Point: 433.6 °C at 760 mmHg; (14)Vapour Pressure: 2.74E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)C[C@@H](N)Cc1c2ccccc2sc1
(2)InChI: InChI=1S/C12H13NO2S.ClH/c13-9(6-12(14)15)5-8-7-16-11-4-2-1-3-10(8)11;/h1-4,7,9H,5-6,13H2,(H,14,15);1H/t9-;/m0./s1
(3)InChIKey: WBZKGWWYBOKXAS-FVGYRXGTSA-N

Product Name

(S)-3-AMINO-4-(3-BENZOTHIENYL)BUTANOIC ACID HYDROCHLORIDE

(S)-3-Amino-4-(3-benzothienyl)butanoic acid Specification

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