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93893-74-4 | 1-BENZYL-5-ETHYL-2-METHYLPYRIDINIUM CHLORIDE
CAS No: 93893-74-4 Catalog No: AG00H882 MDL No:
Product Description
Catalog Number:
AG00H882
Chemical Name:
1-BENZYL-5-ETHYL-2-METHYLPYRIDINIUM CHLORIDE
CAS Number:
93893-74-4
Molecular Formula:
C15H18ClN
Molecular Weight:
247.7631
IUPAC Name:
1-benzyl-5-ethyl-2-methylpyridin-1-ium;chloride
InChI:
InChI=1S/C15H18N.ClH/c1-3-14-10-9-13(2)16(11-14)12-15-7-5-4-6-8-15;/h4-11H,3,12H2,1-2H3;1H/q+1;/p-1
InChI Key:
GUEPTLJJMZGRNU-UHFFFAOYSA-M
SMILES:
CCc1ccc([n+](c1)Cc1ccccc1)C.[Cl-]
EC Number:
299-666-5
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.113g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.766g/mol
Monoisotopic Mass:
247.113g/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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