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131625-67-7 | 1-Pyrenamine, N,N-bis(4-methylphenyl)-
CAS No: 131625-67-7 Catalog No: AG000ZIR MDL No:
Product Description
Catalog Number:
AG000ZIR
Chemical Name:
1-Pyrenamine, N,N-bis(4-methylphenyl)-
CAS Number:
131625-67-7
Molecular Formula:
C30H23N
Molecular Weight:
397.5103
IUPAC Name:
N,N-bis(4-methylphenyl)pyren-1-amine
InChI:
InChI=1S/C30H23N/c1-20-6-14-25(15-7-20)31(26-16-8-21(2)9-17-26)28-19-13-24-11-10-22-4-3-5-23-12-18-27(28)30(24)29(22)23/h3-19H,1-2H3
InChI Key:
JDNBBPWIBVHESD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)c1ccc(cc1)C
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.183g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.521g/mol
Monoisotopic Mass:
397.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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