5-Isoquinolinecarbonitrile,1,2,3,4-tetrahydro- (215794-24-4)

The 1,2,3,4-Tetrahydroisoquinoline-5-carbonitrile, with CAS registry number 215794-24-4, has the systematic name of 1,2,3,4-tetrahydroisoquinoline-5-carbonitrile. Besides this, it is also called 5-Isoquinolinecarbonitrile, 1,2,3,4-tetrahydro-. And the chemical formula of this chemical is C₁₀H₁₀N₂.

Physical properties of 1,2,3,4-Tetrahydroisoquinoline-5-carbonitrile: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4.53; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 27.03 Å²; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 46.81 cm³; (13)Molar Volume: 137.7 cm³; (14)Polarizability: 18.55×10^-24cm³; (15)Surface Tension: 51.1 dyne/cm; (16)Enthalpy of Vaporization: 55.87 kJ/mol; (17)Vapour Pressure: 0.000388 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc2c1CCNC2
(2)InChI: InChI=1/C10H10N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-3,12H,4-5,7H2
(3)InChIKey: BTLCQUCMNTUJNV-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H10N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-3,12H,4-5,7H2
(5)Std. InChIKey: BTLCQUCMNTUJNV-UHFFFAOYSA-N