Basic information
- Name:
2-Thiophenepropanoicacid, β-amino-, (βR)-
- CAS No.:
73495-10-0
- Molecular Structure:
- Formula:
- C7H9NO2S
- Molecular Weight:
- 171.22
- Synonyms:
- (R)-3-Amino-3-(2-thienyl)propanoic acid;3-amino-3-(thiophen-2-yl)propanoic acid;2-Thiophenepropanoic acid, β-amino-;3-amino-3-(2-thienyl)propanoic acid;
- Density:
- 1.345 g/cm3
- Boiling Point:
- 327.6 °C at 760 mmHg
- Flash Point:
- 151.9 °C
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Specification
The 2-Thiophenepropanoicacid, β-amino-, (βR)-, with the CAS registry number 73495-10-0, has the systematic name of 3-amino-3-(thiophen-2-yl)propanoic acid. It belongs to the product category of β-Amino. And the molecular formula of the chemical is C7H9NO2S.
The characteristics of 2-Thiophenepropanoicacid, b-amino-, (bR)- are as followings: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 57.78 Å2; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 43.92 cm3; (13)Molar Volume: 127.2 cm3; (14)Polarizability: 17.41×10-24cm3; (15)Surface Tension: 61.3 dyne/cm; (16)Density: 1.345 g/cm3; (17)Flash Point: 151.9 °C; (18)Enthalpy of Vaporization: 60.16 kJ/mol; (19)Boiling Point: 327.6 °C at 760 mmHg; (20)Vapour Pressure: 8.12E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CC(N)c1sccc1
(2)InChI: InChI=1/C7H9NO2S/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)
(3)InChIKey: GYAYLYLPTPXESE-UHFFFAOYAN
