C1CN2CCC1CN2
CAS: 329-94-2
Nombre: 1,2-diazabicyclo[2.2.2]octane
SMILES: C1CN2CCC1CN2

Molecular Processing

Molecular formula
C6H12N2
Molecular weight
112.18
Exact mass
112.1
XLogP
0.22
TPSA
15.27
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
32.3

Supplementary Information

InChIKey: QVCUKHQDEZNNOC-UHFFFAOYSA-N
Sinónimos
Diazabicyclo[2.2.2]octanediazabicyclo(2.2.2)octaneRefChem:9200191,2-Diazabicyclo[2.2.2]octane329-94-21,7-diazabicyclo[2.2.2]octane1,2-Diazabicyclo(2.2.2)octane1,2-diaza-bicyclo[2.2.2]octanediazabicyclo (2.2.2) octanediazabicyclo [2.2.2] octanediazabicyclo[2,2,2]octanediazabicyclo [2.2.2]octanediazabicyclo[2.2.2]-octaneSCHEMBL115270SCHEMBL4675814-diazabicyclo[2.2.2]octanediazabicyclo-[2,2,2]-octaneSCHEMBL1978606SCHEMBL3391856DTXSID40186554QVCUKHQDEZNNOC-UHFFFAOYSA-NAKOS015901957DB-291009
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