4-Pyridinepropanimidamide (887578-79-2)

The 3-Pyridin-4-ylpropionamidine, with CAS registry number of 887578-79-2, belongs to the following product categories: pharmacetical. It has the systematic name of 3-pyridin-4-ylpropanimidamide.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 62.76 Å²; (10)Index of Refraction: 1.582; (11)Molar Refractivity: 43.74 cm³; (12)Molar Volume: 130.9 cm³; (13)Polarizability: 17.34×10^-24cm³; (14)Surface Tension: 46.7 dyne/cm; (15)Enthalpy of Vaporization: 53.62 kJ/mol; (16)Vapour Pressure: 0.00144 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(=N)CCc1ccncc1
(2)InChI: InChI=1/C8H11N3/c9-8(10)2-1-7-3-5-11-6-4-7/h3-6H,1-2H2,(H3,9,10)
(3)InChIKey: RLTBUYZSAKQMFP-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H11N3/c9-8(10)2-1-7-3-5-11-6-4-7/h3-6H,1-2H2,(H3,9,10)
(5)Std. InChIKey: RLTBUYZSAKQMFP-UHFFFAOYSA-N