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
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View