8-Benzyl-3,8-diazabicyclo[3.2.1]octane supplier

Name
8-Benzyl-3,8-diaza-bicyclo[3.2.1]octane
EINECS
CAS No. 93428-56-9
Article Data9
CAS DataBase
Density 1.074 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈N₂
Boiling Point 309.164 °C at 760 mmHg
Molecular Weight 202.299
Flash Point 131.436 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,8-Diazabicyclo[3.2.1]octane,8-benzyl- (7CI);3-benzyl-3,8-diazabicyclo[3.2.1]octane;
PSA 15.27000
LogP 1.88950

8-Benzyl-3,8-diazabicyclo[3.2.1]octane Specification

The 3,8-Diazabicyclo[3.2.1]octane,8-(phenylmethyl)-, with the CAS registry number 93428-56-9, has the systematic name of 3-benzyl-3,8-diazabicyclo[3.2.1]octane. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₁₃H₁₈N₂.

The physical properties of 3,8-Diazabicyclo[3.2.1]octane,8-(phenylmethyl)- are as followings: (1)ACD/LogP: 1.68; (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): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 15.27 Å²; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 61.804 cm³; (13)Molar Volume: 188.348 cm³; (14)Polarizability: 24.501×10^-24cm³; (15)Surface Tension: 40.667 dyne/cm; (16)Density: 1.074 g/cm³; (17)Flash Point: 131.436 °C; (18)Enthalpy of Vaporization: 54.99 kJ/mol; (19)Boiling Point: 309.164 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(c1ccccc1)N3CC2CCC(N2)C3
(2)InChI: InChI=1/C13H18N2/c1-2-4-11(5-3-1)8-15-9-12-6-7-13(10-15)14-12/h1-5,12-14H,6-10H2
(3)InChIKey: QXMPIEOTDBYZDL-UHFFFAOYAV

Product Name

8-Benzyl-3,8-diaza-bicyclo[3.2.1]octane

8-Benzyl-3,8-diazabicyclo[3.2.1]octane Specification

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