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28105-69-3

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Basic Information
CAS No.: 28105-69-3
Name: 3-(3-pyridyl)alanine
Article Data: 5
Molecular Structure:
Molecular Structure of 28105-69-3 (3-(3-pyridyl)alanine)
Formula: C8H10N2O2
Molecular Weight: 166.18
Synonyms: 3-Pyridinepropanoic acid, alpha-amino-, (+-)-;
Density: 1.271 g/cm3
Boiling Point: 344.4 °C at 760 mmHg
Flash Point: 162.1 °C
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  • (2S)-2-Amino-3-pyridin-3-yl-propanoic acid

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    28105-69-3

    (2S)-2-Amino-3-pyridin-3-yl-propanoic acid

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  • (2S)-2-Amino-3-pyridin-3-yl-propanoic acid

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    28105-69-3

    (2S)-2-Amino-3-pyridin-3-yl-propanoic acid

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  • (2S)-2-Amino-3-pyridin-3-yl-propanoic acid

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    28105-69-3

    (2S)-2-Amino-3-pyridin-3-yl-propanoic acid

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Specification

The (2S)-2-Amino-3-pyridin-3-yl-propanoic acid, with the CAS registry number of 28105-69-3, is also known as 3-Pyridinepropanoic acid, alpha-amino-, (+-)-. This chemical's molecular formula is C8H10N2O2 and molecular weight is 166.1772. What's more, its IUPAC name is (2S)-2-Amino-3-pyridin-3-ylpropanoic acid.

Physical properties about (2S)-2-Amino-3-pyridin-3-yl-propanoic acid are: (1)ACD/LogP: -0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.99; (4)ACD/LogD (pH 7.4): -2.91; (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: 17.27×10-24 cm3; (17)Surface Tension: 61.5 dyne/cm; (18)Density: 1.271 g/cm3; (19)Flash Point: 162.1 °C; (20)Enthalpy of Vaporization: 62.1 kJ/mol; (21)Boiling Point: 344.4 °C at 760 mmHg; (22)Vapour Pressure: 2.51E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N)Cc1cccnc1
(2) InChI: InChI=1/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1
(3) InChIKey: DFZVZEMNPGABKO-ZETCQYMHBT