Basic Information | Post buying leads | Suppliers |
The 5-Aminomethyl-1H-pyridin-2-one, with CAS registry number 131052-84-1, belongs to the following product category: Pyridine. It has the systematic name of 5-(aminomethyl)pyridin-2-ol. Besides this, it is also called 2(1H)-Pyridinone,5-(aminomethyl)-(9CI). And the chemical formula of this chemical is C6H8N2O.
Physical properties of 5-Aminomethyl-1H-pyridin-2-one: (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: 2; (9)Polar Surface Area: 59.14 Å2; (10)Index of Refraction: 1.602; (11)Molar Refractivity: 34.67 cm3; (12)Molar Volume: 101 cm3; (13)Polarizability: 13.74×10-24cm3; (14)Surface Tension: 60.8 dyne/cm; (15)Density: 1.228 g/cm3; (16)Flash Point: 175 °C; (17)Enthalpy of Vaporization: 63.61 kJ/mol; (18)Boiling Point: 365.7 °C at 760 mmHg; (19)Vapour Pressure: 7.32E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCc1cnc(O)cc1
(2)InChI: InChI=1/C6H8N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3,7H2,(H,8,9)
(3)InChIKey: CSVYITCBZGOVBG-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H8N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3,7H2,(H,8,9)
(5)Std. InChIKey: CSVYITCBZGOVBG-UHFFFAOYSA-N