3-(2-Pyridyl)-L-alanine supplier

Name
3-(2-Pyridyl)-L-alanine
EINECS
CAS No. 37535-51-6
Article Data5
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point 216-217 °C (decomp)
Formula C₈H₁₀N₂O₂
Boiling Point 322.4 °C at 760 mmHg
Molecular Weight 166.18
Flash Point 148.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Pyridinepropanoicacid, α-amino-, (S)-;L-β-(2-Pyridyl)-α-alanine;β-2-Pyridyl-L-alanine;
PSA 76.21000
LogP 0.73630

3-(2-Pyridyl)-L-alanine Specification

The 2-Pyridinepropanoicacid, a-amino-, (αS)-, with the CAS registry number 37535-51-6, has the systematic name of 3-pyridin-2-yl-L-alanine. It belongs to the following product categories: Amino Acids; Chiral; Unusual Amino Acids; α-amino. And the molecular formula of the chemical is C₈H₁₀N₂O₂. What's more, it should be stored at 0-5°C.

The characteristics of 2-Pyridinepropanoicacid, α-amino-, (aS)- are as followings: (1)ACD/LogP: -0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.95; (4)ACD/LogD (pH 7.4): -2.98; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.43 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 43.58 cm³; (15)Molar Volume: 130.6 cm³; (16)Polarizability: 17.27×10^-24cm³; (17)Surface Tension: 61.5 dyne/cm; (18)Density: 1.271 g/cm³; (19)Flash Point: 148.8 °C; (20)Enthalpy of Vaporization: 59.56 kJ/mol; (21)Boiling Point: 322.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000116 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc1ncccc1
(2)InChI: InChI=1/C8H10N2O2/c9-7(8(11)12)5-6-3-1-2-4-10-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1
(3)InChIKey: PDRJLZDUOULRHE-ZETCQYMHBB

Product Name

3-(2-Pyridyl)-L-alanine

3-(2-Pyridyl)-L-alanine Specification

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