3-Azabicyclo[3.1.0]hexan-6-amine, 3-(phenylmethyl)-, (1α,5α,6α)- supplier

Name
6-Amino-3-benzyl-3-azabicyclo[3.1.0]hexane
EINECS
CAS No. 151860-17-2
Article Data7
CAS DataBase
Density 1.145 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆N₂
Boiling Point 280.2 °C at 760 mmHg
Molecular Weight 188.272
Flash Point 111.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (1a,5a,6a)-6-Amino-3-benzyl-3-azabicyclo[3.1.0]hexane;3-Benzyl-3-azabicyclo[3.1.0]hexan-6-amine;6-Amino-3-benzyl-3-azabicyclo[3.1.0]hexane;
PSA 29.26000
LogP 1.71370

3-Azabicyclo[3.1.0]hexan-6-amine, 3-(phenylmethyl)-, (1α,5α,6α)- Specification

The 3-Azabicyclo[3.1.0]hexan-6-amine, 3-(phenylmethyl)-, (1α,5α,6α)-, with the CAS registry number 151860-17-2, is also known as 6-Amino-3-benzyl-3-azabicyclo[3.1.0]hexane. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₂H₁₆N₂ and molecular weight is 188.27. What's more, its systematic name is 3-benzyl-3-azabicyclo[3.1.0]hexan-6-amine.

Physical properties of 3-Azabicyclo[3.1.0]hexan-6-amine, 3-(phenylmethyl)-, (1α,5α,6α)- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.552; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 7.845; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.26 Å²; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 57.397 cm³; (14)Molar Volume: 164.41 cm³; (15)Polarizability: 22.754×10^-24cm³; (16)Surface Tension: 49.007 dyne/cm; (17)Density: 1.145 g/cm³; (18)Flash Point: 111.48 °C; (19)Enthalpy of Vaporization: 51.894 kJ/mol; (20)Boiling Point: 280.213 °C at 760 mmHg; (21)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C2C(C2N)CN1CC3=CC=CC=C3
(2)InChI: InChI=1S/C12H16N2/c13-12-10-7-14(8-11(10)12)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8,13H2
(3)InChIKey: AWZOKHOIEDMSLL-UHFFFAOYSA-N

Product Name

6-Amino-3-benzyl-3-azabicyclo[3.1.0]hexane

3-Azabicyclo[3.1.0]hexan-6-amine, 3-(phenylmethyl)-, (1α,5α,6α)- Specification

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