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Home > Other Heterocycles > 280-49-9
280-49-9 | 2,3-diazabicyclo[2.2.2]octane
CAS No: 280-49-9 Catalog No: AG01C4RE MDL No:MFCD29763212
Product Description
Catalog Number:
AG01C4RE
Chemical Name:
2,3-diazabicyclo[2.2.2]octane
CAS Number:
280-49-9
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
MDL Number:
MFCD29763212
IUPAC Name:
2,3-diazabicyclo[2.2.2]octane
InChI:
InChI=1S/C6H12N2/c1-2-6-4-3-5(1)7-8-6/h5-8H,1-4H2
InChI Key:
DFKQAVOVPVVCQM-UHFFFAOYSA-N
SMILES:
C1CC2CCC1NN2
Properties
Complexity:
72.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.1g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.176g/mol
Monoisotopic Mass:
112.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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