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CAS No.: | 280-74-0 |
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Name: | 3,7-Diazabicyclo[3.3.1]nonane |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C7H14N2 |
Molecular Weight: | 126.202 |
Synonyms: | Bispidin;Bispidine; |
Density: | 0.95 g/cm3 |
Melting Point: | 234-236 °C |
Boiling Point: | 216.4 °C at 760 mmHg |
Flash Point: | 107.1 °C |
PSA: | 24.06000 |
LogP: | 0.47290 |
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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