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189826-80-0 | 8-Azoniabicyclo[3.2.1]octane, 8-decyl-3-hydroxy-8-methyl-, bromide (1:1)
CAS No: 189826-80-0 Catalog No: AG002E13 MDL No:
Product Description
Catalog Number:
AG002E13
Chemical Name:
8-Azoniabicyclo[3.2.1]octane, 8-decyl-3-hydroxy-8-methyl-, bromide (1:1)
CAS Number:
189826-80-0
Molecular Formula:
C18H36BrNO
Molecular Weight:
362.3885
IUPAC Name:
8-decyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol;bromide
InChI:
InChI=1S/C18H36NO.BrH/c1-3-4-5-6-7-8-9-10-13-19(2)16-11-12-17(19)15-18(20)14-16;/h16-18,20H,3-15H2,1-2H3;1H/q+1;/p-1
InChI Key:
HCKFYISFLJFVBF-UHFFFAOYSA-M
SMILES:
CCCCCCCCCC[N+]1(C)C2CCC1CC(C2)O.[Br-]
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.198g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.396g/mol
Monoisotopic Mass:
361.198g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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