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8-Benzyl-3a-amino-1aH,5aH-nortropane

  • Name 8-Benzyl-3a-amino-1aH,5aH-nortropane
  • EINECSN/A
  • CAS No. 76272-35-0
  • Density1.082 g/cm3
  • PSA29.26000
  • LogP2.77890
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC14H20N2
  • Boiling Point317.1 °C at 760 mmHg
  • Molecular Weight216.326
  • Flash Point133.4 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 76272-35-0 (8-Benzyl-3α-amino-1αH,5αH-nortropane)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data3

8-Benzyl-3a-amino-1aH,5aH-nortropane Specification

The CAS register number of 8-Benzyl-3a-amino-1aH,5aH-nortropane is 76272-35-0. It also can be called as 8-Azabicyclo[3.2.1]octan-3-amine,8-(phenylmethyl)-, (3-endo)- and the systematic name about this chemical is 8-benzyl-8-azabicyclo[3.2.1]octan-3-amine. It belongs to the following product categories, such as Heterocycles series, API intermediates and so on.

Physical properties about 8-Benzyl-3a-amino-1aH,5aH-nortropane are: (1)ACD/LogP: 1.78; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 29.26Å2; (10)Index of Refraction: 1.581; (11)Molar Refractivity: 66.62 cm3; (12)Molar Volume: 199.8 cm3; (13)Polarizability: 26.41x10-24cm3; (14)Surface Tension: 44.1 dyne/cm; (15)Enthalpy of Vaporization: 55.85 kJ/mol; (16)Boiling Point: 317.1 °C at 760 mmHg; (17)Vapour Pressure: 0.000393 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC1CC3CCC(C1)N3Cc2ccccc2
(2)InChI: InChI=1/C14H20N2/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2
(3)InChIKey: TZWXPIKAEAYGPF-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C14H20N2/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2
(5)Std. InChIKey: TZWXPIKAEAYGPF-UHFFFAOYSA-N

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