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202256-57-3

202256-57-3 | 4-Aza-1-azoniabicyclo[2.2.2]octane, 1-butyl-, bromide (1:1)

CAS No: 202256-57-3 Catalog No: AG00285B MDL No:

Product Description

Catalog Number:
AG00285B
Chemical Name:
4-Aza-1-azoniabicyclo[2.2.2]octane, 1-butyl-, bromide (1:1)
CAS Number:
202256-57-3
Molecular Formula:
C10H21BrN2
Molecular Weight:
249.1911
IUPAC Name:
1-butyl-4-aza-1-azoniabicyclo[2.2.2]octane;bromide
InChI:
InChI=1S/C10H21N2.BrH/c1-2-3-7-12-8-4-11(5-9-12)6-10-12;/h2-10H2,1H3;1H/q+1;/p-1
InChI Key:
DDJZEWGMVHUBGS-UHFFFAOYSA-M
SMILES:
CCCC[N+]12CCN(CC1)CC2.[Br-]

Properties

Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.089g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.196g/mol
Monoisotopic Mass:
248.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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