CAS No.70110-45-1,3-Benzyl-3-azabicyclo[3.1.0]hexane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70110-45-1
Name:	3-Benzyl-3-azabicyclo[3.1.0]hexane
Article Data:	10

Formula:	C₁₂H₁₅N
Molecular Weight:	173.258
Synonyms:	3-Benzyl-3-aza-bicyclo[3.1.0]hexane;
Density:	1.104 g/cm³
Boiling Point:	244.2 °C at 760 mmHg
Flash Point:	92.7 °C
PSA:	3.24000
LogP:	2.07620

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Specification

The 3-Benzyl-3-azabicyclo[3.1.0]hexane, with the CAS registry number 70110-45-1, is also known as 3-Benzyl-3-aza-bicyclo[3.1.0]hexane. This chemical's molecular formula is C₁₂H₁₅N and molecular weight is 173.2542. What's more, its systematic name is 3-Benzyl-3-azabicyclo[3.1.0]hexane.

Physical properties about 3-Benzyl-3-azabicyclo[3.1.0]hexane are: (1)ACD/LogP: 2.04; (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): 2.37; (7)#H bond acceptors: 1; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: Å²; (11)Index of Refraction: 1.602; (12)Molar Refractivity: 53.84 cm³; (13)Molar Volume: 156.8 cm³; (14)Polarizability: 21.34×10^-24 cm³; (15)Surface Tension: 45.4 dyne/cm; (16)Density: 1.104 g/cm³; (17)Flash Point: 92.7 °C; (18)Enthalpy of Vaporization: 48.12 kJ/mol; (19)Boiling Point: 244.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0308 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccccc1CN2CC3CC3C2
(2) InChI: InChI=1/C12H15N/c1-2-4-10(5-3-1)7-13-8-11-6-12(11)9-13/h1-5,11-12H,6-9H2
(3) InChIKey: OQEHGZOASMRNJW-UHFFFAOYAQ