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151026-68-5 | 9,10-Phenanthrenediamine, N9,N10-bis(4-butylphenyl)-
CAS No: 151026-68-5 Catalog No: AG001N14 MDL No:MFCD19441346
Product Description
Catalog Number:
AG001N14
Chemical Name:
9,10-Phenanthrenediamine, N9,N10-bis(4-butylphenyl)-
CAS Number:
151026-68-5
Molecular Formula:
C34H36N2
Molecular Weight:
472.6630
MDL Number:
MFCD19441346
IUPAC Name:
9-N,10-N-bis(4-butylphenyl)phenanthrene-9,10-diamine
InChI:
InChI=1S/C34H36N2/c1-3-5-11-25-17-21-27(22-18-25)35-33-31-15-9-7-13-29(31)30-14-8-10-16-32(30)34(33)36-28-23-19-26(20-24-28)12-6-4-2/h7-10,13-24,35-36H,3-6,11-12H2,1-2H3
InChI Key:
ZJXWAQVBKSOUDV-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)Nc1c(Nc2ccc(cc2)CCCC)c2ccccc2c2c1cccc2
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.288g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
472.676g/mol
Monoisotopic Mass:
472.288g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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