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CAS No.: | 62561-76-6 |
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Name: | D-2-THIENYLALANINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H9NO2S |
Molecular Weight: | 171.22 |
Synonyms: | (2R)-2-Amino-3-(2-thienyl)propanoic acid;2-thiophenepropanoic acid, α-amino-, (αR)-;3-(2-Thienyl)-D-alanine;(2R)-2-ammonio-3-thiophen-2-ylpropanoate;3-Thiophen-2-yl-D-alanine; |
Density: | 1.349 g/cm3 |
Melting Point: | 265-266 °C (decomp) |
Boiling Point: | 315.9 °C at 760 mmHg |
Flash Point: | 144.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 91.56000 |
LogP: | 1.40280 |
The 3-(2-Thienyl)-D-alanine, with the CAS registry number 62561-76-6, has the systematic of (2R)-2-ammonio-3-thiophen-2-ylpropanoate. And the molecular formula of this chemical is C7H9NO2S. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; α-amino.
The physical properties of 3-(2-Thienyl)-D-alanine are as following: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.71; (4)ACD/LogD (pH 7.4): -1.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 65.54 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 43.87 cm3; (15)Molar Volume: 126.9 cm3; (16)Polarizability: 17.39×10-24cm3; (17)Surface Tension: 61.2 dyne/cm; (18)Density: 1.349 g/cm3; (19)Flash Point: 144.9 °C; (20)Enthalpy of Vaporization: 58.83 kJ/mol; (21)Boiling Point: 315.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000179 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])[C@@H](Cc1sccc1)[NH3+]
(2)InChI: InChI=1/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1
(3)InChIKey: WTOFYLAWDLQMBZ-ZCFIWIBFBR