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Home > Other Heterocycles > 1955554-18-3

1955554-18-3

1955554-18-3 | 2,5-diazabicyclo[2.2.2]octane hydrochloride

CAS No: 1955554-18-3 Catalog No: AG01C2ZI MDL No:MFCD29055181

Product Description

Catalog Number:
AG01C2ZI
Chemical Name:
2,5-diazabicyclo[2.2.2]octane hydrochloride
CAS Number:
1955554-18-3
Molecular Formula:
C6H13ClN2
Molecular Weight:
148.6338
MDL Number:
MFCD29055181
IUPAC Name:
2,5-diazabicyclo[2.2.2]octane;hydrochloride
InChI:
InChI=1S/C6H12N2.ClH/c1-2-6-4-7-5(1)3-8-6;/h5-8H,1-4H2;1H
InChI Key:
PNXLYARWHINEHM-UHFFFAOYSA-N
SMILES:
C1CC2CNC1CN2.Cl
NSC Number:
152740

Properties

Complexity:
80.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.077g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
148.634g/mol
Monoisotopic Mass:
148.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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