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112400-86-9 | 1-Butyl-4-methylpyridinium Chloride
CAS No: 112400-86-9 Catalog No: AG0035D8 MDL No:MFCD03095439
Product Description
Catalog Number:
AG0035D8
Chemical Name:
1-Butyl-4-methylpyridinium Chloride
CAS Number:
112400-86-9
Molecular Formula:
C10H16ClN
Molecular Weight:
185.6937
MDL Number:
MFCD03095439
IUPAC Name:
1-butyl-4-methylpyridin-1-ium;chloride
InChI:
InChI=1S/C10H16N.ClH/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:
YTSDTJNDMGOTFN-UHFFFAOYSA-M
SMILES:
CCCC[n+]1ccc(cc1)C.[Cl-]
UNII:
V4ZM1NC0YI
Properties
Complexity:
93
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.097g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.695g/mol
Monoisotopic Mass:
185.097g/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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