Benzonitrile,2-amino-3-methoxy- (148932-68-7)

The 2-Amino-3-methoxybenzonitrile with the CAS number 148932-68-7 is also called Benzonitrile,2-amino-3-methoxy-. Its molecular formula is C₈H₈N₂O. The product category is amineprimary. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.862; (4)ACD/LogD (pH 7.4): 1.862; (5)ACD/BCF (pH 5.5): 15.312; (6)ACD/BCF (pH 7.4): 15.315; (7)ACD/KOC (pH 5.5): 245.38; (8)ACD/KOC (pH 7.4): 245.424; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 59.04 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 41.303 cm³; (15)Molar Volume: 125.973 cm³; (16)Polarizability: 16.374×10^-24cm³; (17)Surface Tension: 52.809 dyne/cm; (18)Enthalpy of Vaporization: 52.607 kJ/mol; (19)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc(c1N)C#N
(2)InChI: InChI=1/C8H8N2O/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4H,10H2,1H3
(3)InChIKey: KLCPAKMBBMVXMD-UHFFFAOYAK