3,7-Diazabicyclo[3.3.1]nonane supplier

Name
3,7-Diazabicyclo[3.3.1]nonane
EINECS
CAS No. 280-74-0
Article Data16
CAS DataBase
Density 0.95 g/cm³
Solubility
Melting Point 234-236 °C
Formula C₇H₁₄N₂
Boiling Point 216.4 °C at 760 mmHg
Molecular Weight 126.202
Flash Point 107.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bispidin;Bispidine;
PSA 24.06000
LogP 0.47290

3,7-Diazabicyclo[3.3.1]nonane Specification

The 3, 7-Diazabicyclo[3.3.1]nonane, with the CAS registry number 280-74-0, is also known as Bispidine. This chemical's molecular formula is C₇H₁₄N₂ and molecular weight is 126.20. What's more, its IUPAC name is 3, 7-Diazabicyclo[3.3.1]nonane. In addition, this chemical is a 7-aza analog of azabicyclane.

Physical properties about 3, 7-Diazabicyclo[3.3.1]nonane are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.04; (4)ACD/LogD (pH 7.4): -3.97; (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: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 37.03 cm³; (15)Molar Volume: 132.7 cm³; (16)Polarizability: 14.68×10^-24 cm³; (17)Surface Tension: 31.5 dyne/cm; (18)Density: 0.95 g/cm³; (19)Flash Point: 107.1 °C; (20)Enthalpy of Vaporization: 45.28 kJ/mol; (21)Boiling Point: 216.4 °C at 760 mmHg; (22)Vapour Pressure: 0.14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N1CC2CC(C1)CNC2
(2) InChI: InChI=1/C7H14N2/c1-6-2-8-4-7(1)5-9-3-6/h6-9H,1-5H2
(3) InChIKey: PTPQJKANBKHDPM-UHFFFAOYAG

Product Name

3,7-Diazabicyclo[3.3.1]nonane

3,7-Diazabicyclo[3.3.1]nonane Specification

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