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65350-59-6 | 1-Butyl-4-methylpyridin-1-ium bromide
CAS No: 65350-59-6 Catalog No: AG003E6K MDL No:MFCD06798209
Product Description
Catalog Number:
AG003E6K
Chemical Name:
1-Butyl-4-methylpyridin-1-ium bromide
CAS Number:
65350-59-6
Molecular Formula:
C10H16BrN
Molecular Weight:
230.1447
MDL Number:
MFCD06798209
IUPAC Name:
1-butyl-4-methylpyridin-1-ium;bromide
InChI:
InChI=1S/C10H16N.BrH/c1-3-4-7-11-8-5-10(2)6-9-11;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1
InChI Key:
UWVZAZVPOZTKNM-UHFFFAOYSA-M
SMILES:
CCCC[n+]1ccc(cc1)C.[Br-]
Properties
Complexity:
93
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.149g/mol
Monoisotopic Mass:
229.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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