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Home > Other Heterocycles > 72192-13-3
72192-13-3 | 2,3-Diazabicyclo[2.1.1]hex-2-ene
CAS No: 72192-13-3 Catalog No: AG006936 MDL No:
Product Description
Catalog Number:
AG006936
Chemical Name:
2,3-Diazabicyclo[2.1.1]hex-2-ene
CAS Number:
72192-13-3
Molecular Formula:
C4H6N2
Molecular Weight:
82.1038
IUPAC Name:
2,3-diazabicyclo[2.1.1]hex-2-ene
InChI:
InChI=1S/C4H6N2/c1-3-2-4(1)6-5-3/h3-4H,1-2H2
InChI Key:
FLMPZLURVMTPKU-UHFFFAOYSA-N
SMILES:
C1C2CC1N=N2
Properties
Complexity:
77.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.053g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
82.106g/mol
Monoisotopic Mass:
82.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| CASPT2//CASSCF study on the photolysis mechanism of 2,3-diazabicyclo[2.1.1]hex-2-ene: alpha C-N versus beta C-C cleavage. | The Journal of organic chemistry 20061124 |
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