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119189-01-4 | 9,10-Anthracenedione, 1,8-bis[[2-(dimethylamino)ethyl]amino]-
CAS No: 119189-01-4 Catalog No: AG000P67 MDL No:
Product Description
Catalog Number:
AG000P67
Chemical Name:
9,10-Anthracenedione, 1,8-bis[[2-(dimethylamino)ethyl]amino]-
CAS Number:
119189-01-4
Molecular Formula:
C22H28N4O2
Molecular Weight:
380.4833
IUPAC Name:
1,8-bis[2-(dimethylamino)ethylamino]anthracene-9,10-dione
InChI:
InChI=1S/C22H28N4O2/c1-25(2)13-11-23-17-9-5-7-15-19(17)22(28)20-16(21(15)27)8-6-10-18(20)24-12-14-26(3)4/h5-10,23-24H,11-14H2,1-4H3
InChI Key:
KESMPLKFIGTOLF-UHFFFAOYSA-N
SMILES:
CN(CCNc1cccc2c1C(=O)c1c(C2=O)cccc1NCCN(C)C)C
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.221g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
380.492g/mol
Monoisotopic Mass:
380.221g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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