1,4-Diazabicyclo[2.2.2]octane


Chemical Name: 1,4-Diazabicyclo[2.2.2]octane
CAS Number: 280-57-9
Product Number: AG00384D(AGN-PC-0JK8Y4)
Synonyms:
MDL No:
Molecular Formula: C6H12N2
Molecular Weight: 112.1729

Identification/Properties


Computed Properties
Molecular Weight:
112.176g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
112.1g/mol
Monoisotopic Mass:
112.1g/mol
Topological Polar Surface Area:
6.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
61.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1325
Hazard Statements:
H228-H302-H315-H318
Precautionary Statements:
P210-P240-P241-P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P332+P313-P362-P370+P378-P501
Class:
4.1
Packing Group:

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback