CAS No.80012-69-7,11H-Dibenzo[b,e]azepine-6-carbonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80012-69-7
Name:	11H-Dibenzo[b,e]azepine-6-carbonitrile
Article Data:	2

Formula:	C₁₅H₁₀N₂
Molecular Weight:	218.258
Synonyms:	6-Cyano-11-hydro-dibenzoazepine;
Density:	1.14 g/cm³
Melting Point:	99-101 °C(Solv: acetonitrile (75-05-8))
Boiling Point:	377.4 °C at 760 mmHg
Flash Point:	182.1 °C
PSA:	36.15000
LogP:	2.67078

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Specification

The CAS register number of 11H-Dibenzo[b,e]azepine-6-carbonitrile is 80012-69-7. It also can be called as 6-Cyano-11-hydro-dibenzoazepine and the systematic name about this chemical is 11H-dibenzo[b,e]azepine-6-carbonitrile. The molecular formula about this chemical is C₁₅H₁₀N₂and the molecular weight is 218.25.

Physical properties about 11H-Dibenzo[b,e]azepine-6-carbonitrile are: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 2.77; (3)ACD/LogD (pH 7.4): 2.77; (4)ACD/BCF (pH 5.5): 74.97; (5)ACD/BCF (pH 7.4): 74.97; (6)ACD/KOC (pH 5.5): 764.96; (7)ACD/KOC (pH 7.4): 764.96; (8)#H bond acceptors: 2; (9)Polar Surface Area: 36.15Å²; (10)Index of Refraction: 1.646; (11)Molar Refractivity: 68.99 cm³; (12)Molar Volume: 190 cm³; (13)Polarizability: 27.35x10^-24cm³; (14)Surface Tension: 46.4 dyne/cm; (15)Enthalpy of Vaporization: 62.52 kJ/mol; (16)Boiling Point: 377.4 °C at 760 mmHg; (17)Vapour Pressure: 6.76E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C2=N\c3ccccc3Cc1ccccc12
(2)InChI: InChI=1/C15H10N2/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15/h1-8H,9H2
(3)InChIKey: ABWGCWCVNGSQQM-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C15H10N2/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15/h1-8H,9H2
(5)Std. InChIKey: ABWGCWCVNGSQQM-UHFFFAOYSA-N