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88013-90-5 | Pyridinium, 2,3,4,5-tetrahydro-1-methyl-6-(2-methylphenyl)-, chloride
CAS No: 88013-90-5 Catalog No: AG004JUN MDL No:
Product Description
Catalog Number:
AG004JUN
Chemical Name:
Pyridinium, 2,3,4,5-tetrahydro-1-methyl-6-(2-methylphenyl)-, chloride
CAS Number:
88013-90-5
Molecular Formula:
C13H18ClN
Molecular Weight:
223.7417
IUPAC Name:
1-methyl-6-(2-methylphenyl)-2,3,4,5-tetrahydropyridin-1-ium;chloride
InChI:
InChI=1S/C13H18N.ClH/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2;/h3-4,7-8H,5-6,9-10H2,1-2H3;1H/q+1;/p-1
InChI Key:
NCJNCHVCWNMELT-UHFFFAOYSA-M
SMILES:
C[N+]1=C(CCCC1)c1ccccc1C.[Cl-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.113g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.744g/mol
Monoisotopic Mass:
223.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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