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Home > Other Heterocycles > 90827-82-0
90827-82-0 | 6-Aza-1-azoniabicyclo[4.4.1]undecane, 1-methyl-
CAS No: 90827-82-0 Catalog No: AG006A5O MDL No:
Product Description
Catalog Number:
AG006A5O
Chemical Name:
6-Aza-1-azoniabicyclo[4.4.1]undecane, 1-methyl-
CAS Number:
90827-82-0
Molecular Formula:
C10H21N2+
Molecular Weight:
169.2871
IUPAC Name:
1-methyl-6-aza-1-azoniabicyclo[4.4.1]undecane
InChI:
InChI=1S/C10H21N2/c1-12-8-4-2-6-11(10-12)7-3-5-9-12/h2-10H2,1H3/q+1
InChI Key:
HEIYPTRJQKTEGD-UHFFFAOYSA-N
SMILES:
C[N+]12CCCCN(C2)CCCC1
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.17g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.292g/mol
Monoisotopic Mass:
169.17g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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