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73259-83-3

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Basic Information
CAS No.: 73259-83-3
Name: 1-Azabicyclo[4.4.0]decane-3-carbonitrile
Article Data: 3
Molecular Structure:
Molecular Structure of 73259-83-3 (1-Azabicyclo[4.4.0]decane-3-carbonitrile)
Formula: C10H16N2
Molecular Weight: 164.25
Synonyms: 1-AZABICYCLO[4.4.0]DECANE-3-CARBONITRILE;3-Cyanochinolizidine;OCTAHYDRO-1H-QUINOLIZINE-3-CARBONITRILE;
Density: 1.03 g/cm3
Melting Point: 51 - 52 °C (hexane)
Boiling Point: 285.3 °C at 760 mmHg
Flash Point: 119.4 °C
PSA: 27.03000
LogP: 1.71238
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Specification

The CAS register number of 1-Azabicyclo[4.4.0]decane-3-carbonitrile is 73259-83-3. The systematic name about this chemical is octahydro-2H-quinolizine-3-carbonitrile. The Molecular Formula of this chemical is C10H16N2.

Physical properties about 1-Azabicyclo[4.4.0]decane-3-carbonitrile are: (1)ACD/LogP: 1.38; (2)ACD/LogD (pH 7.4): 0.36; (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): 12.75; (7)#H bond acceptors: 2; (8)Polar Surface Area: 27.03Å2; (9)Index of Refraction: 1.519; (10)Molar Refractivity: 48.04 cm3; (11)Molar Volume: 158 cm3; (12)Polarizability: 19.04x10-24cm3; (13)Surface Tension: 42.2 dyne/cm; (14)Enthalpy of Vaporization: 52.43 kJ/mol; (15)Boiling Point: 285.3 °C at 760 mmHg; (16) Vapour Pressure: 0.00283 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1CCN2CC(CCC2C1)C#N
(2)InChI: InChI=1/C10H16N2/c11-7-9-4-5-10-3-1-2-6-12(10)8-9/h9-10H,1-6,8H2
(3)InChIKey: BQSDHIMENRTWTN-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H16N2/c11-7-9-4-5-10-3-1-2-6-12(10)8-9/h9-10H,1-6,8H2
(5)Std. InChIKey: BQSDHIMENRTWTN-UHFFFAOYSA-N