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Home > Pyridines > 125652-55-3
125652-55-3 | Pyridinium, 1-butyl-3-methyl-, chloride (1:1)
CAS No: 125652-55-3 Catalog No: AG000O9Y MDL No:MFCD08458942
Product Description
Catalog Number:
AG000O9Y
Chemical Name:
Pyridinium, 1-butyl-3-methyl-, chloride (1:1)
CAS Number:
125652-55-3
Molecular Formula:
C10H16ClN
Molecular Weight:
185.6937
MDL Number:
MFCD08458942
IUPAC Name:
1-butyl-3-methylpyridin-1-ium;chloride
InChI:
InChI=1S/C10H16N.ClH/c1-3-4-7-11-8-5-6-10(2)9-11;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1
InChI Key:
PHCASOSWUQOQAG-UHFFFAOYSA-M
SMILES:
CCCC[n+]1cccc(c1)C.[Cl-]
Properties
Complexity:
101
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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