3-Phenyl-8-azabicyclo[3.2.1]octane supplier

Name
3-Phenyl-8-azabicyclo[3.2.1]octane
EINECS
CAS No. 669002-98-6
Article Data3
CAS DataBase
Density 1.022 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇N
Boiling Point 298 °C at 760 mmHg
Molecular Weight 187.285
Flash Point 138.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3α-Phenyltropan;3β-Phenyltropan;
PSA 12.03000
LogP 3.01340

3-Phenyl-8-azabicyclo[3.2.1]octane Specification

This chemical's CAS registry number is 669002-98-6. Its molecular formula is C₁₃H₁₇N and molecular weight is 187.2808. What's more, both the product name and systematic name are the same which is called 3-Phenyl-8-azabicyclo[3.2.1]octane.

Physical properties about 3-Phenyl-8-azabicyclo[3.2.1]octane are: (1)ACD/LogP: 2.81; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 12.03 Å²; (7)Index of Refraction: 1.547; (8)Molar Refractivity: 58.12 cm³; (9)Molar Volume: 183.1 cm³; (10)Polarizability: 23.04×10^-24 cm³; (11)Surface Tension: 38.1 dyne/cm; (12)Density: 1.022 g/cm³; (13)Flash Point: 138.8 °C; (14)Enthalpy of Vaporization: 53.78 kJ/mol; (15)Boiling Point: 298 °C at 760 mmHg; (16)Vapour Pressure: 0.00131 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1C(CC2CCC1N2)c3ccccc3
(2) InChI: InChI=1/C13H17N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,11-14H,6-9H2
(3) InChIKey: ORRDHOXURKUQRK-UHFFFAOYAG

Product Name

3-Phenyl-8-azabicyclo[3.2.1]octane

3-Phenyl-8-azabicyclo[3.2.1]octane Specification

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