2(1H)-Pyridinone,1-(3-aminopropyl)- (102675-58-1)

The 1-(3-Aminopropyl)pyridin-2(1H)-one is an organic compound with the formula C₈H₁₂N₂O. The IUPAC name of this chemical is 1-(3-aminopropyl)pyridin-2-one. With the CAS registry number 102675-58-1, it is also named as 1-(3-aminopropyl)pyridin-2(1H)-one.Its EINECS registry number is and the product Categories are intermediates & Fine Chemicals;Pharmaceuticals;Retinoids; and Intracellular receptor.

Physical properties about this chemical are:(1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.63; (4)ACD/LogD (pH 7.4): -2.62; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4 ; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 43.45 cm³; (14)Molar Volume: 138.3 cm³; (15)Surface Tension: 44.4 dyne/cm; (16)Density: 1.099 g/cm³; (17)Flash Point: 163.1 °C; (18)Enthalpy of Vaporization: 59.02 kJ/mol; (19)Boiling Point: 346 °C at 760 mmHg; (20)Vapour Pressure: 5.92E-05 mmHg at 25°C

Additionally, you could obtain the molecular structure by converting the following datas: 
1. Canonical SMILES: C1=CC(=O)N(C=C1)CCCN
2. InChI: InChI=1S/C8H12N2O/c9-5-3-7-10-6-2-1-4-8(10)11/h1-2,4,6H,3,5,7,9H2
3. InChIKey: FMSYLYHUWPAOIM-UHFFFAOYSA-N