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86930-79-2 | 2-Propynimidamide, 3-(diphenylamino)-N,N'-bis(4-methylphenyl)-
CAS No: 86930-79-2 Catalog No: AG004ODZ MDL No:
Product Description
Catalog Number:
AG004ODZ
Chemical Name:
2-Propynimidamide, 3-(diphenylamino)-N,N'-bis(4-methylphenyl)-
CAS Number:
86930-79-2
Molecular Formula:
C29H25N3
Molecular Weight:
415.5289
IUPAC Name:
N,N'-bis(4-methylphenyl)-3-(N-phenylanilino)prop-2-ynimidamide
InChI:
InChI=1S/C29H25N3/c1-23-13-17-25(18-14-23)30-29(31-26-19-15-24(2)16-20-26)21-22-32(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-20H,1-2H3,(H,30,31)
InChI Key:
OXAGOMQDRDYPTF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=Nc1ccc(cc1)C)C#CN(c1ccccc1)c1ccccc1
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.205g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.54g/mol
Monoisotopic Mass:
415.205g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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