1-Azabicyclo[2.2.2]octane-4-carbonitrile


Chemical Name: 1-Azabicyclo[2.2.2]octane-4-carbonitrile
CAS Number: 26458-78-6
Product Number: AG002TAN(AGN-PC-0JMRWH)
Synonyms:
MDL No:
Molecular Formula: C8H12N2
Molecular Weight: 136.1943

Identification/Properties


Computed Properties
Molecular Weight:
136.198g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
136.1g/mol
Monoisotopic Mass:
136.1g/mol
Topological Polar Surface Area:
27A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
167
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#:
3439
Hazard Statements:
H301+H311+H331
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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