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17407-39-5

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Basic Information
CAS No.: 17407-39-5
Name: Beta-(2-pyridyl)-dl-alanine
Article Data: 6
Molecular Structure:
Molecular Structure of 17407-39-5 (Beta-(2-pyridyl)-dl-alanine)
Formula: C8H10N2O2
Molecular Weight: 166.18
Synonyms: 2'-O-METHYLCYTIDINE ANHYDROUS
Density: 1.271g/cm3
Boiling Point: 322.4 °C at 760 mmHg
Flash Point: 148.8 °C
PSA: 76.21000
LogP: 0.73630
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Specification

The Beta-(2-pyridyl)-dl-alanine, with CAS registry number 17407-39-5, belongs to the following product categories: (1)Phenylalanine analogs and other aromatic alpha amino acids; (2)Alanine [Ala, A]. It has the systematic name of 3-pyridin-2-ylalanine. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C8H10N2O2.

Physical properties of Beta-(2-pyridyl)-dl-alanine: (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.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(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)
(3)InChIKey: PDRJLZDUOULRHE-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-3-1-2-4-10-6/h1-4,7H,5,9H2,(H,11,12)
(5)Std. InChIKey: PDRJLZDUOULRHE-UHFFFAOYSA-N