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139905-80-9 | 1-Pyrenamine, N-(4-ethylphenyl)-N-(4-methylphenyl)-
CAS No: 139905-80-9 Catalog No: AG001BRU MDL No:
Product Description
Catalog Number:
AG001BRU
Chemical Name:
1-Pyrenamine, N-(4-ethylphenyl)-N-(4-methylphenyl)-
CAS Number:
139905-80-9
Molecular Formula:
C31H25N
Molecular Weight:
411.5369
IUPAC Name:
N-(4-ethylphenyl)-N-(4-methylphenyl)pyren-1-amine
InChI:
InChI=1S/C31H25N/c1-3-22-9-17-27(18-10-22)32(26-15-7-21(2)8-16-26)29-20-14-25-12-11-23-5-4-6-24-13-19-28(29)31(25)30(23)24/h4-20H,3H2,1-2H3
InChI Key:
RXEHSTJYKFTBSZ-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)c1ccc(cc1)C
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.199g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.548g/mol
Monoisotopic Mass:
411.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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