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294-13-3

294-13-3 | 1,6-Diazecine (6CI,8CI,9CI)

CAS No: 294-13-3 Catalog No: AG002Y9I MDL No:

Product Description

Catalog Number:
AG002Y9I
Chemical Name:
1,6-Diazecine (6CI,8CI,9CI)
CAS Number:
294-13-3
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
IUPAC Name:
1,6-diazecine
InChI:
InChI=1S/C8H8N2/c1-2-6-10-8-4-3-7-9-5-1/h1-8H
InChI Key:
VVCZBEXRYPRWKT-UHFFFAOYSA-N
SMILES:
c1cccnccccn1

Properties

Complexity:
55.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.069g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.166g/mol
Monoisotopic Mass:
132.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Literature

Title Journal
5,11-Diisopropyl-2,8-dimethyl-1H,7H-diimidazo[c,h][1,6]diazecine dihydrate. Acta crystallographica. Section E, Structure reports online 20100801
[μ-2,8-Dimethyl-1,4,5,6,7,10,11,12-octa-hydro-diimidazo[4,5-h;4',5'-c][1,6]diaze-cine-5,11-diacetato]bis-[diaqua-nitrato-copper(II)] trihydrate. Acta crystallographica. Section E, Structure reports online 20080901

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