endo-N-Benzyl-endo-3-aminotropane supplier

Name
endo-N-Benzyl-endo-3-aminotropane
EINECS 1533716-785-6
CAS No. 101353-61-1
Article Data6
CAS DataBase
Density 1.065 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₂N₂
Boiling Point 334.488 °C at 760 mmHg
Molecular Weight 230.353
Flash Point 129.32 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Tropane,3-benzylamino- (6CI);
PSA 15.27000
LogP 2.73020

endo-N-Benzyl-endo-3-aminotropane 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.

Product Name

endo-N-Benzyl-endo-3-aminotropane

endo-N-Benzyl-endo-3-aminotropane Specification

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