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179063-38-8 | 2,3-Naphthalenediamine, N2,N2,N3,N3-tetrakis(3-methylphenyl)-
CAS No: 179063-38-8 Catalog No: AG0026RE MDL No:
Product Description
Catalog Number:
AG0026RE
Chemical Name:
2,3-Naphthalenediamine, N2,N2,N3,N3-tetrakis(3-methylphenyl)-
CAS Number:
179063-38-8
Molecular Formula:
C38H34N2
Molecular Weight:
518.6900
IUPAC Name:
2-N,2-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-2,3-diamine
InChI:
InChI=1S/C38H34N2/c1-27-11-7-17-33(21-27)39(34-18-8-12-28(2)22-34)37-25-31-15-5-6-16-32(31)26-38(37)40(35-19-9-13-29(3)23-35)36-20-10-14-30(4)24-36/h5-26H,1-4H3
InChI Key:
CLUSMYJXMUEGSN-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)N(c1cc2ccccc2cc1N(c1cccc(c1)C)c1cccc(c1)C)c1cccc(c1)C
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.272g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
518.704g/mol
Monoisotopic Mass:
518.272g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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