Home Halogens 2-chloro-1,4-diazabicyclo[2.2.2]octane

2-chloro-1,4-diazabicyclo[2.2.2]octane

CAS No.:
1378716-17-6
Catalog Number:
AG01AV5C
Molecular Formula:
C6H11ClN2
Molecular Weight:
146.6179
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Product Description
Catalog Number:
AG01AV5C
Chemical Name:
2-chloro-1,4-diazabicyclo[2.2.2]octane
CAS Number:
1378716-17-6
Molecular Formula:
C6H11ClN2
Molecular Weight:
146.6179
MDL Number:
MFCD20627991
IUPAC Name:
2-chloro-1,4-diazabicyclo[2.2.2]octane
InChI:
InChI=1S/C6H11ClN2/c7-6-5-8-1-3-9(6)4-2-8/h6H,1-5H2
InChI Key:
DJALXPSTJMBAIN-UHFFFAOYSA-N
SMILES:
ClC1CN2CCN1CC2
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.061g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.618g/mol
Monoisotopic Mass:
146.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties