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Home > Other Heterocycles > 16301-62-5
16301-62-5 | 3,9-Diazabicyclo[3.3.1]nonane-3-acetonitrile, 9-methyl-
CAS No: 16301-62-5 Catalog No: AG001TMV MDL No:
Product Description
Catalog Number:
AG001TMV
Chemical Name:
3,9-Diazabicyclo[3.3.1]nonane-3-acetonitrile, 9-methyl-
CAS Number:
16301-62-5
Molecular Formula:
C10H17N3
Molecular Weight:
179.2621
IUPAC Name:
2-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)acetonitrile
InChI:
InChI=1S/C10H17N3/c1-12-9-3-2-4-10(12)8-13(7-9)6-5-11/h9-10H,2-4,6-8H2,1H3
InChI Key:
SMPMOSXEQYNIPT-UHFFFAOYSA-N
SMILES:
CN1C2CCCC1CN(C2)CC#N
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.142g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.267g/mol
Monoisotopic Mass:
179.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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