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174096-41-4

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Basic Information
CAS No.: 174096-41-4
Name: D-4-PYRIDYLALANINE
Molecular Structure:
Molecular Structure of 174096-41-4 (D-4-PYRIDYLALANINE)
Formula: C8H10N2O2.2ClH
Molecular Weight: 166.18
Synonyms: 4-Pyridinepropanoicacid, a-amino-, dihydrochloride, (R)-;
Safety: 22-24/25
PSA: 76.21000
LogP: 0.73630
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Chemistry

Molecular Structure of (2R)-2-ammonio-3-pyridin-4-ylpropanoate (CAS NO.174096-41-4):

Empirical Formula: C8H10N2O2
Molecular Weight: 166.1772
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 50.19 Å2
Index of Refraction: 1.581
Molar Refractivity: 43.58 cm3
Molar Volume: 130.6 cm3
Surface Tension: 61.5 dyne/cm
Density: 1.271 g/cm3
Flash Point: 163.3 °C
Enthalpy of Vaporization: 62.33 kJ/mol
Boiling Point: 346.4 °C at 760 mmHg
Vapour Pressure: 2.18E-05 mmHg at 25°C 
SMILES: [O-]C(=O)[C@@H](Cc1ccncc1)[NH3+]
InChI: InChI=1/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m1/s1

Safety Profile

Safety Statements: 22-24/25
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

Specification

  (2R)-2-ammonio-3-pyridin-4-ylpropanoate , with CAS number of 174096-41-4, can be called 3-(4-Pyridinyl)-D-alanine ; 3-Pyridin-4-yl-D-alanin ; 4-pyridinepropanoic acid, alpha-amino-, (alphaR)- ; 3-Pyridin-4-yl-L-alanine .