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13090-99-8 | 9,10-Anthracenedione, 1,4-bis(cyclohexylamino)-
CAS No: 13090-99-8 Catalog No: AG000V3S MDL No:MFCD00208329
Product Description
Catalog Number:
AG000V3S
Chemical Name:
9,10-Anthracenedione, 1,4-bis(cyclohexylamino)-
CAS Number:
13090-99-8
Molecular Formula:
C26H30N2O2
Molecular Weight:
402.5286
MDL Number:
MFCD00208329
IUPAC Name:
1,4-bis(cyclohexylamino)anthracene-9,10-dione
InChI:
InChI=1S/C26H30N2O2/c29-25-19-13-7-8-14-20(19)26(30)24-22(28-18-11-5-2-6-12-18)16-15-21(23(24)25)27-17-9-3-1-4-10-17/h7-8,13-18,27-28H,1-6,9-12H2
InChI Key:
ZTADCQTUHRWJCM-UHFFFAOYSA-N
SMILES:
O=C1c2c(NC3CCCCC3)ccc(c2C(=O)c2c1cccc2)NC1CCCCC1
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.231g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.538g/mol
Monoisotopic Mass:
402.231g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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