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20965-15-5

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Basic Information
CAS No.: 20965-15-5
Name: 3,6-Diazabicyclo[3.1.0]hexane,3-(phenylmethyl)-(9CI)
Molecular Structure:
Molecular Structure of 20965-15-5 (3,6-Diazabicyclo[3.1.0]hexane,3-(phenylmethyl)-(9CI))
Formula: C11H14N2
Molecular Weight: 174.246
Synonyms: 3,6-Diazabicyclo[3.1.0]hexane,3-benzyl- (8CI);
Density: 1.14 g/cm3
Boiling Point: 272.427 °C at 760 mmHg
Flash Point: 124.085 °C
PSA: 25.18000
LogP: 1.10930
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Specification

The 3, 6-Diazabicyclo[3.1.0]hexane, 3-(phenylmethyl)-, with the CAS registry number 20965-15-5, is also known as 3, 6-Diazabicyclo[3.1.0]hexane, 3-benzyl- (8CI). It belongs to the product categories of Piperidine. This chemical's molecular formula is C11H14N2 and molecular weight is 174.24. What's more, its IUPAC name is 3-Benzyl-3, 6-diazabicyclo[3.1.0]hexane.

Physical properties about 3, 6-Diazabicyclo[3.1.0]hexane, 3-(phenylmethyl)- are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 3.577; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 25.18 Å2; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 52.58 cm3; (13)Molar Volume: 152.872 cm3; (14)Polarizability: 20.844×10-24 cm3; (15)Surface Tension: 44.793 dyne/cm; (16)Density: 1.14 g/cm3; (17)Flash Point: 124.085 °C; (18)Enthalpy of Vaporization: 51.071 kJ/mol; (19)Boiling Point: 272.427 °C at 760 mmHg; (20)Vapour Pressure: 0.006 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)CN2CC3C(C2)N3
(2) InChI: InChI=1/C11H14N2/c1-2-4-9(5-3-1)6-13-7-10-11(8-13)12-10/h1-5,10-12H,6-8H2
(3) InChIKey: ULXQPXMCODDEEP-UHFFFAOYAO