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67644-21-7

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Basic Information
CAS No.: 67644-21-7
Name: (+/-)-1-PHENYL-3-AZABICYCLO[3.1.0]HEXANE
Article Data: 4
Molecular Structure:
Molecular Structure of 67644-21-7 ((+/-)-1-PHENYL-3-AZABICYCLO[3.1.0]HEXANE)
Formula: C11H13N
Molecular Weight: 159.231
Synonyms: 1-Phenyl-3-azabicyclo[3.1.0]hexane;
Density: 1.118 g/cm3
Boiling Point: 255.477 °C at 760 mmHg
Flash Point: 111.742 °C
PSA: 3.01000
LogP: 1.92920
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Specification

The 3-Azabicyclo[3.1.0]hexane, 1-phenyl-, with the CAS registry number 67644-21-7, is also known as 1-Phenyl-3-aza-bicyclo[3.1.0]hexane. This chemical's molecular formula is C11H13N and molecular weight is 159.23. What's more, its systematic name is 1-Phenyl-3-azabicyclo[3.1.0]hexane.

Physical properties about 3-Azabicyclo[3.1.0]hexane, 1-phenyl- are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 48.804 cm3; (15)Molar Volume: 142.45 cm3; (16)Polarizability: 19.348×10-24 cm3; (17)Surface Tension: 49.703 dyne/cm; (18)Density: 1.118 g/cm3; (19)Flash Point: 111.742 °C; (20)Enthalpy of Vaporization: 49.295 kJ/mol; (21)Boiling Point: 255.477 °C at 760 mmHg; (22)Vapour Pressure: 0.016 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1)C32CC3CNC2
(2) InChI: InChI=1/C11H13N/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11/h1-5,10,12H,6-8H2
(3) InChIKey: HYXPTPHIWQWOQF-UHFFFAOYAK