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114068-53-0 | 1,4-Benzenediamine, N1-(4-ethoxy-2-methylphenyl)-N4-phenyl-
CAS No: 114068-53-0 Catalog No: AG000AGZ MDL No:
Product Description
Catalog Number:
AG000AGZ
Chemical Name:
1,4-Benzenediamine, N1-(4-ethoxy-2-methylphenyl)-N4-phenyl-
CAS Number:
114068-53-0
Molecular Formula:
C21H22N2O
Molecular Weight:
318.4122
IUPAC Name:
4-N-(4-ethoxy-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine
InChI:
InChI=1S/C21H22N2O/c1-3-24-20-13-14-21(16(2)15-20)23-19-11-9-18(10-12-19)22-17-7-5-4-6-8-17/h4-15,22-23H,3H2,1-2H3
InChI Key:
OTPYNBVXESMDOW-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)C)Nc1ccc(cc1)Nc1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.42g/mol
Monoisotopic Mass:
318.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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