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Home > Other Heterocycles > 13090-31-8
13090-31-8 | 1,5-Diazabicyclo[3.1.0]hexane
CAS No: 13090-31-8 Catalog No: AG000V3V MDL No:
Product Description
Catalog Number:
AG000V3V
Chemical Name:
1,5-Diazabicyclo[3.1.0]hexane
CAS Number:
13090-31-8
Molecular Formula:
C4H8N2
Molecular Weight:
84.1197
IUPAC Name:
1,5-diazabicyclo[3.1.0]hexane
InChI:
InChI=1S/C4H8N2/c1-2-5-4-6(5)3-1/h1-4H2
InChI Key:
RZIHIJJOVJRDTA-UHFFFAOYSA-N
SMILES:
C1CN2N(C1)C2
Properties
Complexity:
63.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.069g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.122g/mol
Monoisotopic Mass:
84.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Molecular structure of 1,5-diazabicyclo[3.1.0]hexane as determined by gas electron diffraction and quantum-chemical calculations. | The journal of physical chemistry. A 20080612 |
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