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88471-94-7 | Cyclohexanaminium, N-2-butynyl-N,N-dimethyl-2-oxo-, bromide
CAS No: 88471-94-7 Catalog No: AG004ACT MDL No:
Product Description
Catalog Number:
AG004ACT
Chemical Name:
Cyclohexanaminium, N-2-butynyl-N,N-dimethyl-2-oxo-, bromide
CAS Number:
88471-94-7
Molecular Formula:
C12H20BrNO
Molecular Weight:
274.1973
IUPAC Name:
but-2-ynyl-dimethyl-(2-oxocyclohexyl)azanium;bromide
InChI:
InChI=1S/C12H20NO.BrH/c1-4-5-10-13(2,3)11-8-6-7-9-12(11)14;/h11H,6-10H2,1-3H3;1H/q+1;/p-1
InChI Key:
ZWCXZIOHMYWSGF-UHFFFAOYSA-M
SMILES:
CC#CC[N+](C1CCCCC1=O)(C)C.[Br-]
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.202g/mol
Monoisotopic Mass:
273.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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