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73322-95-9

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Basic Information
CAS No.: 73322-95-9
Name: 9-Chloro-9-azabicyclo[3.3.1]nonane
Molecular Structure:
Molecular Structure of 73322-95-9 (9-Chloro-9-azabicyclo[3.3.1]nonane)
Formula: C8H14ClN
Molecular Weight: 159.659
Synonyms: N-Chlorogranatanine;9-Chloro-9-azabicyclo[3.3.1]nonane;
Density: 1.11 g/cm3
Boiling Point: 213.3 °C at 760 mmHg
Flash Point: 82.8 °C
PSA: 3.24000
LogP: 2.48510
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Specification

The 9-Azabicyclo[3.3.1]nonane,9-chloro-, with the CAS registry number 73322-95-9, is also known as N-Chlorogranatanine. This chemical's molecular formula is C8H14ClN and molecular weight is 159.66. What's more, its systematic name is 9-Chloro-9-azabicyclo[3.3.1]nonane.

Physical properties of 9-Azabicyclo[3.3.1]nonane,9-chloro- are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 37.66; (6)ACD/BCF (pH 7.4): 37.66; (7)ACD/KOC (pH 5.5): 467.29; (8)ACD/KOC (pH 7.4): 467.3; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 43.66 cm3; (15)Molar Volume: 142.8 cm3; (16)Polarizability: 17.31×10-24 cm3; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 82.8 °C; (20)Enthalpy of Vaporization: 44.96 kJ/mol; (21)Boiling Point: 213.3 °C at 760 mmHg; (22)Vapour Pressure: 0.166 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC2CCCC(C1)N2Cl
(2)InChI: InChI=1S/C8H14ClN/c9-10-7-3-1-4-8(10)6-2-5-7/h7-8H,1-6H2
(3)InChIKey: JMLWQDURPCLFLN-UHFFFAOYSA-N