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Home > Other Heterocycles > 791525-60-5
791525-60-5 | 3-Azabicyclo[4.2.1]nonane-3-acetonitrile
CAS No: 791525-60-5 Catalog No: AG005AX0 MDL No:
Product Description
Catalog Number:
AG005AX0
Chemical Name:
3-Azabicyclo[4.2.1]nonane-3-acetonitrile
CAS Number:
791525-60-5
Molecular Formula:
C10H16N2
Molecular Weight:
164.2474
IUPAC Name:
2-(3-azabicyclo[4.2.1]nonan-3-yl)acetonitrile
InChI:
InChI=1S/C10H16N2/c11-4-6-12-5-3-9-1-2-10(7-9)8-12/h9-10H,1-3,5-8H2
InChI Key:
IJRKTTYKXWSTIP-UHFFFAOYSA-N
SMILES:
N#CCN1CCC2CC(C1)CC2
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.252g/mol
Monoisotopic Mass:
164.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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