3-(2-Thienyl)-D-alanine supplier

Name
D-2-THIENYLALANINE
EINECS
CAS No. 62561-76-6
Article Data3
CAS DataBase
Density 1.349 g/cm³
Solubility
Melting Point 265-266 °C (decomp)
Formula C₇H₉NO₂S
Boiling Point 315.9 °C at 760 mmHg
Molecular Weight 171.22
Flash Point 144.9 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 91.56000
LogP 1.40280

3-(2-Thienyl)-D-alanine Specification

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

Product Name

D-2-THIENYLALANINE

3-(2-Thienyl)-D-alanine Specification

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