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85557-84-2 | 1,5-Naphthalenedione, 4,8-bis[(4-butylphenyl)amino]-
CAS No: 85557-84-2 Catalog No: AG004UH8 MDL No:
Product Description
Catalog Number:
AG004UH8
Chemical Name:
1,5-Naphthalenedione, 4,8-bis[(4-butylphenyl)amino]-
CAS Number:
85557-84-2
Molecular Formula:
C30H32N2O2
Molecular Weight:
452.5873
IUPAC Name:
8-(4-butylanilino)-4-(4-butylphenyl)imino-5-hydroxynaphthalen-1-one
InChI:
InChI=1S/C30H32N2O2/c1-3-5-7-21-9-13-23(14-10-21)31-25-17-19-28(34)30-26(18-20-27(33)29(25)30)32-24-15-11-22(12-16-24)8-6-4-2/h9-20,31,34H,3-8H2,1-2H3
InChI Key:
QLNPNKLLIVNTCR-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)NC1=C2C(=O)C=CC(=C2C(=O)C=C1)Nc1ccc(cc1)CCCC
Properties
Complexity:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.246g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
452.598g/mol
Monoisotopic Mass:
452.246g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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