Home Nitriles 3-Azabicyclo[3.2.1]octane-8-carbonitrile, hydrochloride (1:1)

3-Azabicyclo[3.2.1]octane-8-carbonitrile, hydrochloride (1:1)

CAS No.:
1788054-86-3
Catalog Number:
AG0026CW
Molecular Formula:
C8H13ClN2
Molecular Weight:
172.6552
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Product Description
Catalog Number:
AG0026CW
Chemical Name:
3-Azabicyclo[3.2.1]octane-8-carbonitrile, hydrochloride (1:1)
CAS Number:
1788054-86-3
Molecular Formula:
C8H13ClN2
Molecular Weight:
172.6552
MDL Number:
MFCD28502795
IUPAC Name:
3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride
InChI:
InChI=1S/C8H12N2.ClH/c9-3-8-6-1-2-7(8)5-10-4-6;/h6-8,10H,1-2,4-5H2;1H
InChI Key:
BQGJZFDVZJCXCI-UHFFFAOYSA-N
SMILES:
N#CC1C2CNCC1CC2.Cl
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.077g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.656g/mol
Monoisotopic Mass:
172.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties