2-Benzyl-2,5-diazabicyclo[2.2.1]heptane supplier

Name
2-BENZYL-2,5-DIAZA-BICYCLO[2,2,1]HEPTANE
EINECS
CAS No. 114086-14-5
Article Data2
CAS DataBase
Density 1.103 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆N₂
Boiling Point 291 °C at 760 mmHg
Molecular Weight 188.27
Flash Point 128.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Phenylmethyl)-2,5-diazabicyclo[2.2.1]heptane;2-Benzyl-2,5-diazabicyclo[2.2.1]heptane;
PSA 15.27000
LogP 1.49940

2-Benzyl-2,5-diazabicyclo[2.2.1]heptane Specification

The 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane, with CAS registry number 114086-14-5, belongs to the following product category: Piperidine. It has the systematic name of 2-benzyl-2,5-diazabicyclo[2.2.1]heptane. And the chemical formula of this chemical is C₁₂H₁₆N₂.

Physical properties of 2-Benzyl-2,5-diazabicyclo[2.2.1]heptane: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.87; (4)ACD/LogD (pH 7.4): -1.26; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 57.19 cm³; (15)Molar Volume: 170.6 cm³; (16)Polarizability: 22.67×10^-24cm³; (17)Surface Tension: 42.4 dyne/cm; (18)Enthalpy of Vaporization: 53.04 kJ/mol; (19)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(ccccc1)CN3C2CC(NC2)C3
(2)InChI: InChI=1/C12H16N2/c1-2-4-10(5-3-1)8-14-9-11-6-12(14)7-13-11/h1-5,11-13H,6-9H2
(3)InChIKey: JPRFUVVWNBBEDI-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C12H16N2/c1-2-4-10(5-3-1)8-14-9-11-6-12(14)7-13-11/h1-5,11-13H,6-9H2
(5)Std. InChIKey: JPRFUVVWNBBEDI-UHFFFAOYSA-N

Product Name

2-BENZYL-2,5-DIAZA-BICYCLO[2,2,1]HEPTANE

2-Benzyl-2,5-diazabicyclo[2.2.1]heptane Specification

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