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CAS No.: | 37535-51-6 |
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Name: | 3-(2-Pyridyl)-L-alanine |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H10N2O2 |
Molecular Weight: | 166.18 |
Synonyms: | 2-Pyridinepropanoicacid, α-amino-, (S)-;L-β-(2-Pyridyl)-α-alanine;β-2-Pyridyl-L-alanine; |
Density: | 1.271 g/cm3 |
Melting Point: | 216-217 °C (decomp) |
Boiling Point: | 322.4 °C at 760 mmHg |
Flash Point: | 148.8 °C |
Hazard Symbols: | Xi |
PSA: | 76.21000 |
LogP: | 0.73630 |
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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