CAS: 162627-35-2

Risk Codes:

Safety:

RTECS :

DG0875000

The Cyclohexanamine,4,4'-methylenebis[N-(2-methylpropylidene)-, with CAS registry number 162627-35-2, has the systematic name of 2-methyl-N-[4-[[4-(2-methylpropylideneamino)cyclohexyl]methyl]cyclohexyl]propan-1-imine. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. And the chemical formula of this chemical is C₂₁H₃₈N₂.

Physical properties of Cyclohexanamine,4,4'-methylenebis[N-(2-methylpropylidene)-: (1)ACD/LogP: 5.92; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 5.62; (5)ACD/BCF (pH 5.5): 44.61; (6)ACD/BCF (pH 7.4): 9393.05; (7)ACD/KOC (pH 5.5): 95.12; (8)ACD/KOC (pH 7.4): 20030.42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 24.72 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 99.59 cm³; (15)Molar Volume: 319.5 cm³; (16)Polarizability: 39.48×10^-24cm³; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 216.7 °C; (20)Enthalpy of Vaporization: 67.77 kJ/mol; (21)Boiling Point: 446.6 °C at 760 mmHg; (22)Vapour Pressure: 9.45E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C=NC1CCC(CC1)CC2CCC(CC2)N=CC(C)C
(2)InChI: InChI=1/C21H38N2/c1-16(2)14-22-20-9-5-18(6-10-20)13-19-7-11-21(12-8-19)23-15-17(3)4/h14-21H,5-13H2,1-4H3
(3)InChIKey: WZZGDSABBCIGPQ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C21H38N2/c1-16(2)14-22-20-9-5-18(6-10-20)13-19-7-11-21(12-8-19)23-15-17(3)4/h14-21H,5-13H2,1-4H3
(5)Std. InChIKey: WZZGDSABBCIGPQ-UHFFFAOYSA-N