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745836-28-6

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Basic Information
CAS No.: 745836-28-6
Name: ANTI-7-CHLORO-2-BENZYL-2-AZABICYCLO[2.2.1]HEPTANE
Molecular Structure:
Molecular Structure of 745836-28-6 (ANTI-7-CHLORO-2-BENZYL-2-AZABICYCLO[2.2.1]HEPTANE)
Formula: C13H16ClN
Molecular Weight: 221.73
Synonyms: Anti-7-chloro-2-benzyl-2-azabicyclo[2.2.1]heptane;2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane;
Density: 1.18 g/cm3
Boiling Point: 311.6 °C at 760 mmHg
Flash Point: 142.3 °C
PSA: 3.24000
LogP: 2.82610
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Specification

The 2-Azabicyclo[2.2.1]heptane,7-chloro-2-(phenylmethyl)-, (1R,4R,7R)-rel-, with the CAS registry number 745836-28-6, is also known as Anti-7-chloro-2-benzyl-2-azabicyclo[2.2.1]heptane. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C13H16ClN and molecular weight is 221.73. What's more, its systematic name is 2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane.

Physical properties of 2-Azabicyclo[2.2.1]heptane,7-chloro-2-(phenylmethyl)-, (1R,4R,7R)-rel- are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 2.08; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: Å2; (9)Index of Refraction: 1.595; (10)Molar Refractivity: 63.72 cm3; (11)Molar Volume: 187.4 cm3; (12)Polarizability: 25.26×10-24 cm3; (13)Surface Tension: 44.5 dyne/cm; (14)Density: 1.18 g/cm3; (15)Flash Point: 142.3 °C; (16)Enthalpy of Vaporization: 55.25 kJ/mol; (17)Boiling Point: 311.6 °C at 760 mmHg; (18)Vapour Pressure: 0.000558 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: ClC3C2CCC3CN2Cc1ccccc1
(2)InChI: InChI=1/C13H16ClN/c14-13-11-6-7-12(13)15(9-11)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
(3)InChIKey: KFHNXKUXFXKYJB-UHFFFAOYAU