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8-Azabicyclo[3.2.1]octan-3-amine,8-methyl-N-(phenylmethyl)- (101353-61-1)

Identification
Name:8-Azabicyclo[3.2.1]octan-3-amine,8-methyl-N-(phenylmethyl)-
Synonyms:Tropane,3-benzylamino- (6CI);
CAS:101353-61-1
Molecular Formula: C15H22N2
Molecular Weight: 230.35
InChI: InChI=1/C15H22N2/c1-17-14-7-8-15(17)10-13(9-14)16-11-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3
Molecular Structure: (C15H22N2) Tropane,3-benzylamino- (6CI);
Properties
Density:1.06 g/cm3
Refractive index:1.578
Specification:

The cas register number of endo-N-Benzyl-endo-3-aminotropane is 101353-61-1. It also can be called as Benzyl-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amine and the Systematic name about this chemical is N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Physical properties about endo-N-Benzyl-endo-3-aminotropane are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 6.48Å2; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 71.8 cm3; (9)Molar Volume: 216.3 cm3; (10)Surface Tension: 42.9 dyne/cm; (11)Density: 1.06 g/cm3; (12)Flash Point: 129.3 °C; (13)Enthalpy of Vaporization: 57.75 kJ/mol; (14)Boiling Point: 334.5 °C at 760 mmHg; (15)Vapour Pressure: 0.000127 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: c1ccccc1CNC3CC2N(C)C(CC2)C3
2.InChI: InChI=1/C15H22N2/c1-17-14-7-8-15(17)10-13(9-14)16-11-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3 
3.InChIKey: IJBWOPMYRYEKGI-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C15H22N2/c1-17-14-7-8-15(17)10-13(9-14)16-11-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3.

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