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202256-55-1 | 4-Aza-1-azoniabicyclo[2.2.2]octane, 1-ethyl-, bromide (1:1)
CAS No: 202256-55-1 Catalog No: AG00285C MDL No:
Product Description
Catalog Number:
AG00285C
Chemical Name:
4-Aza-1-azoniabicyclo[2.2.2]octane, 1-ethyl-, bromide (1:1)
CAS Number:
202256-55-1
Molecular Formula:
C8H17BrN2
Molecular Weight:
221.1380
IUPAC Name:
1-ethyl-4-aza-1-azoniabicyclo[2.2.2]octane;bromide
InChI:
InChI=1S/C8H17N2.BrH/c1-2-10-6-3-9(4-7-10)5-8-10;/h2-8H2,1H3;1H/q+1;/p-1
InChI Key:
IDTCIGXPHCJHHT-UHFFFAOYSA-M
SMILES:
CC[N+]12CCN(CC1)CC2.[Br-]
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.142g/mol
Monoisotopic Mass:
220.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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