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77946-99-7 | 9,10-Anthracenedione,1-(cyclohexylamino)-4-[(4-ethoxyphenyl)amino]-
CAS No: 77946-99-7 Catalog No: AG005E9V MDL No:
Product Description
Catalog Number:
AG005E9V
Chemical Name:
9,10-Anthracenedione,1-(cyclohexylamino)-4-[(4-ethoxyphenyl)amino]-
CAS Number:
77946-99-7
Molecular Formula:
C28H28N2O3
Molecular Weight:
440.5335
IUPAC Name:
1-(cyclohexylamino)-4-(4-ethoxyanilino)anthracene-9,10-dione
InChI:
InChI=1S/C28H28N2O3/c1-2-33-20-14-12-19(13-15-20)30-24-17-16-23(29-18-8-4-3-5-9-18)25-26(24)28(32)22-11-7-6-10-21(22)27(25)31/h6-7,10-18,29-30H,2-5,8-9H2,1H3
InChI Key:
PRZSLFLPSHUQRF-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)NC1CCCCC1
EC Number:
278-799-2
Properties
Complexity:
683
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.21g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
440.543g/mol
Monoisotopic Mass:
440.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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