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79817-57-5 | 9,10-Anthracenedione,1-[(4-hydroxyphenyl)amino]-4-[(3,3,5-trimethylcyclohexyl)amino]-
CAS No: 79817-57-5 Catalog No: AG005H8C MDL No:
Product Description
Catalog Number:
AG005H8C
Chemical Name:
9,10-Anthracenedione,1-[(4-hydroxyphenyl)amino]-4-[(3,3,5-trimethylcyclohexyl)amino]-
CAS Number:
79817-57-5
Molecular Formula:
C29H30N2O3
Molecular Weight:
454.5601
IUPAC Name:
1-(4-hydroxyanilino)-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-9,10-dione
InChI:
InChI=1S/C29H30N2O3/c1-17-14-19(16-29(2,3)15-17)31-24-13-12-23(30-18-8-10-20(32)11-9-18)25-26(24)28(34)22-7-5-4-6-21(22)27(25)33/h4-13,17,19,30-32H,14-16H2,1-3H3
InChI Key:
PSBKGZRXQNIMEW-UHFFFAOYSA-N
SMILES:
CC1CC(Nc2ccc(c3c2C(=O)c2c(C3=O)cccc2)Nc2ccc(cc2)O)CC(C1)(C)C
EC Number:
279-288-7
Properties
Complexity:
759
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.226g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
454.57g/mol
Monoisotopic Mass:
454.226g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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