1H-Imidazol-2-amine,4,5-dihydro-N-(5,6,7,8-tetrahydro-1-naphthalenyl)- (1082-57-1)

The Tramazoline, with CAS registry number of 1082-57-1, has the systematic name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. And its IUPAC name is the same one. It related registry number is 3715-90-0 (mono-hydrochloride). Besides this, it is also named 1H-imidazol-2-amine, 4,5-dihydro-N-(5,6,7,8-tetrahydro-1-naphthalenyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.21; (8)ACD/KOC (pH 7.4): 5.67; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.84 Å²; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 63.97 cm³; (15)Molar Volume: 170.4 cm³; (16)Polarizability: 25.36×10^-24cm³; (17)Surface Tension: 49 dyne/cm; (18)Enthalpy of Vaporization: 59.79 kJ/mol; (19)Vapour Pressure: 3.7E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N\3=C(/Nc1c2c(ccc1)CCCC2)NCC/3
(2)InChI: InChI=1/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16)
(3)InChIKey: QQJLHRRUATVHED-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16)
(5)Std. InChIKey: QQJLHRRUATVHED-UHFFFAOYSA-N