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129178-31-0 | Pyridinium, 1-[2-[[2-[(4-methylphenyl)amino]phenyl]amino]-2-oxoethyl]-, chloride (1:1)
CAS No: 129178-31-0 Catalog No: AG000YXH MDL No:
Product Description
Catalog Number:
AG000YXH
Chemical Name:
Pyridinium, 1-[2-[[2-[(4-methylphenyl)amino]phenyl]amino]-2-oxoethyl]-, chloride (1:1)
CAS Number:
129178-31-0
Molecular Formula:
C20H20ClN3O
Molecular Weight:
353.8453
IUPAC Name:
N-[2-(4-methylanilino)phenyl]-2-(2H-pyridin-1-yl)acetamide;chloride
InChI:
InChI=1S/C20H21N3O.ClH/c1-16-9-11-17(12-10-16)21-18-7-3-4-8-19(18)22-20(24)15-23-13-5-2-6-14-23;/h2-13,21H,14-15H2,1H3,(H,22,24);1H/p-1
InChI Key:
HBJJQXPYCMOZKH-UHFFFAOYSA-M
SMILES:
O=C(Nc1ccccc1Nc1ccc(cc1)C)C[n+]1ccccc1.[Cl-]
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.137g/mol
Formal Charge:
-1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.858g/mol
Monoisotopic Mass:
354.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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