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93940-65-9 | 4-[[(4-METHOXYPHENYL)METHYLHYDRAZONO]METHYL]-1-METHYLPYRIDINIUM CHLORIDE
CAS No: 93940-65-9 Catalog No: AG00H7TV MDL No:
Product Description
Catalog Number:
AG00H7TV
Chemical Name:
4-[[(4-METHOXYPHENYL)METHYLHYDRAZONO]METHYL]-1-METHYLPYRIDINIUM CHLORIDE
CAS Number:
93940-65-9
Molecular Formula:
C15H18ClN3O
Molecular Weight:
291.7759
IUPAC Name:
1-(4-methoxyphenyl)-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]methanamine;chloride
InChI:
InChI=1S/C15H17N3O.ClH/c1-18-9-7-14(8-10-18)12-17-16-11-13-3-5-15(19-2)6-4-13;/h3-10,12H,11H2,1-2H3;1H
InChI Key:
RFJMBPVMHMWBRM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNN=Cc1cc[n+](cc1)C.[Cl-]
EC Number:
300-463-1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
291.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.779g/mol
Monoisotopic Mass:
291.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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