-
Name
3-AMINO-8-BENZYL-8-AZABICYCLO[3.2.1]OCTANE (3-EXO)-
- EINECS
- CAS No. 76272-36-1
- Article Data14
- CAS DataBase
- Density 1.082 g/cm3
- Solubility
- Melting Point
- Formula C14H20N2
- Boiling Point 317.1 °C at 760 mmHg
- Molecular Weight 216.326
- Flash Point 133.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 8-Azabicyclo[3.2.1]octan-3-amine,8-(phenylmethyl)-, exo-;(exo-8-Benzyl-8-azabicyclo[3.2.1]oct-3-yl)amine;
- PSA 29.26000
- LogP 2.77890
8-Benzyl-8-azabicyclo[3.2.1]octan-3-exo-amine Specification
The 8-Benzyl-8-azabicyclo[3.2.1]octan-3-exo-amine with the cas number 76272-36-1 is also called 8-Azabicyclo[3.2.1]octan-3-amine,8-(phenylmethyl)-, (3-exo)-. Its molecular formula is C14H20N2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.78; (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): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.26 Å2; (11)Index of Refraction: 1.581; (12)Molar Refractivity: 66.62 cm3; (13)Molar Volume: 199.8 cm3; (14)Polarizability: 26.41×10-24cm3; (15)Surface Tension: 44.1 dyne/cm; (16)Enthalpy of Vaporization: 55.85 kJ/mol; (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
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