The 3-Amino-3-(pyridin-4-yl)propanoic acid with the CAS number 3429-24-1 is also called 4-Pyridinepropanoicacid, b-amino-. Its molecular formula is C8H10N2O2. This chemical belongs to the following product categories: (1)pharmacetical; (2)API intermediates.
The properties of the chemical are: (1)ACD/LogP: -1.14; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 76.21Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 43.629 cm3; (13)Molar Volume: 131.033 cm3; (14)Polarizability: 17.296×10-24cm3; (15)Surface Tension: 61.736 dyne/cm; (16)Enthalpy of Vaporization: 63.058 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NC(CC(O)=O)c1ccncc1
(2)InChI: InChI=1/C8H10N2O2/c9-7(5-8(11)12)6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)
(3)InChIKey: HELGKMIKUOPFTO-UHFFFAOYAC
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