Basic Information | Post buying leads | Suppliers |
Name |
(R)-3-Amino-4-(3-thienyl)butanoic acid |
EINECS | N/A |
CAS No. | 269726-91-2 | Density | 1.291 |
PSA | 91.56000 | LogP | 2.59490 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H12ClNO2S | Boiling Point | 369oC at 760 mmHg |
Molecular Weight | 185.24 | Flash Point | 176.9oC |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Thiophenebutanoic acid, β-amino-, (βR)-; |
The (R)-3-Amino-4-(3-thienyl)butanoic acid hydrochloride, with the CAS registry number 269726-91-2, is also known as (3R)-3-Amino-4-(3-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 3-Thiophenebutanoic acid, beta-amino-, (betaR)-, hydrochloride (1:1).
Physical properties of (R)-3-Amino-4-(3-thienyl)butanoic acid hydrochloride are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 91.56 Å2; (7)Flash Point: 176.9 °C; (8)Enthalpy of Vaporization: 64.95 kJ/mol; (9)Boiling Point: 369 °C at 760 mmHg; (10)Vapour Pressure: 4.28E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N[C@@H](CC(O)=O)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-;/m1./s1
(3)InChIKey: QDZZLMYYGBIDFT-OGFXRTJISA-N