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Home > Other Heterocycles > 1202-28-4
1202-28-4 | 3-Azabicyclo[3.2.2]nonane-3-propanenitrile
CAS No: 1202-28-4 Catalog No: AG000QK4 MDL No:
Product Description
Catalog Number:
AG000QK4
Chemical Name:
3-Azabicyclo[3.2.2]nonane-3-propanenitrile
CAS Number:
1202-28-4
Molecular Formula:
C11H18N2
Molecular Weight:
178.2740
IUPAC Name:
3-(3-azabicyclo[3.2.2]nonan-3-yl)propanenitrile
InChI:
InChI=1S/C11H18N2/c12-6-1-7-13-8-10-2-3-11(9-13)5-4-10/h10-11H,1-5,7-9H2
InChI Key:
JNCYTWAHOBNKPI-UHFFFAOYSA-N
SMILES:
N#CCCN1CC2CCC(C1)CC2
NSC Number:
527827
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.279g/mol
Monoisotopic Mass:
178.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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