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

Name
8-Benzyl-3α-amino-1αH,5αH-nortropane
EINECS
CAS No. 76272-35-0
Article Data3
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
Molecular Structure
Hazard Symbols
Synonyms 8-Azabicyclo[3.2.1]octan-3-amine,8-(phenylmethyl)-, endo-;
PSA 29.26000
LogP 2.77890

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

Product Name

8-Benzyl-3α-amino-1αH,5αH-nortropane

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

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