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1614-59-1 | 9,10-Anthracenedione, 1,5-bis[[2-(diethylamino)ethyl]amino]-
CAS No: 1614-59-1 Catalog No: AG001SG4 MDL No:
Product Description
Catalog Number:
AG001SG4
Chemical Name:
9,10-Anthracenedione, 1,5-bis[[2-(diethylamino)ethyl]amino]-
CAS Number:
1614-59-1
Molecular Formula:
C26H36N4O2
Molecular Weight:
436.5896
IUPAC Name:
1,5-bis[2-(diethylamino)ethylamino]anthracene-9,10-dione
InChI:
InChI=1S/C26H36N4O2/c1-5-29(6-2)17-15-27-21-13-9-11-19-23(21)25(31)20-12-10-14-22(24(20)26(19)32)28-16-18-30(7-3)8-4/h9-14,27-28H,5-8,15-18H2,1-4H3
InChI Key:
IKPZNOSJYRZOCZ-UHFFFAOYSA-N
SMILES:
CCN(CCNc1cccc2c1C(=O)c1c(C2=O)c(NCCN(CC)CC)ccc1)CC
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.284g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.6g/mol
Monoisotopic Mass:
436.284g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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