3-Isoquinolinamine,1-bromo- (13130-79-5)

The cas register number of 1-Bromoisoquinolin-3-amine is 13130-79-5. It also can be called as 3-Amino-1-bromoisoquinoline and the IUPAC Name about this chemical is 1-bromoisoquinolin-3-amine.

Physical properties about 1-Bromoisoquinolin-3-amine are: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): 3.04; (3)ACD/LogD (pH 7.4): 3.04; (4)ACD/BCF (pH 5.5): 121.29; (5)ACD/BCF (pH 7.4): 121.31; (6)ACD/KOC (pH 5.5): 1079.41; (7)ACD/KOC (pH 7.4): 1079.61; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 16.13Ų; (12)Index of Refraction: 1.732; (13)Molar Refractivity: 54.11 cm³; (14)Molar Volume: 135.2 cm³; (15)Polarizability: 21.45x10^-24cm³; (16)Surface Tension: 63.3 dyne/cm; (17)Enthalpy of Vaporization: 63.69 kJ/mol; (18)Vapour Pressure: 3.21E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=C(N=C2Br)N
(2)InChI: InChI=1S/C9H7BrN2/c10-9-7-4-2-1-3-6(7)5-8(11)12-9/h1-5H,(H2,11,12)
(3)InChIKey: PSQUIUNIVDKHJK-UHFFFAOYSA-N