Basic Information | Post buying leads | Suppliers |
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 | 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; |
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