Specification: |
The CAS number of the 5,6,7,8-Tetrahydro-1,8-naphthyridine-2-methanamine is 332883-10-0. Its molecular formula is C9H13N3. 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: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.179; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 11.112; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 50.94 Å2; (12)Index of Refraction: 1.578; (13)Molar Refractivity: 48.318 cm3; (14)Molar Volume: 145.507 cm3; (15)Polarizability: 19.155×10-24cm3; (16)Surface Tension: 49.678 dyne/cm; (17)Enthalpy of Vaporization: 58.014 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nc2c1CCCN2)CN
(2)InChI: InChI=1/C9H13N3/c10-6-8-4-3-7-2-1-5-11-9(7)12-8/h3-4H,1-2,5-6,10H2,(H,11,12)
(3)InChIKey: XPEHODLGQDPVTB-UHFFFAOYAR
|