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90036-15-0 | 6-Azabicyclo[3.2.1]octane-6-carbonitrile, 1,3,3-trimethyl-
CAS No: 90036-15-0 Catalog No: AG006LHP MDL No:
Product Description
Catalog Number:
AG006LHP
Chemical Name:
6-Azabicyclo[3.2.1]octane-6-carbonitrile, 1,3,3-trimethyl-
CAS Number:
90036-15-0
Molecular Formula:
C11H18N2
Molecular Weight:
178.2740
IUPAC Name:
1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonitrile
InChI:
InChI=1S/C11H18N2/c1-10(2)4-9-5-11(3,6-10)7-13(9)8-12/h9H,4-7H2,1-3H3
InChI Key:
AKZXVLGWHOTFEB-UHFFFAOYSA-N
SMILES:
N#CN1CC2(CC1CC(C2)(C)C)C
Properties
Complexity:
273
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:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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