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83968-84-7 | 9,10-Anthracenedione,1-amino-4-[[3-[(dimethylamino)methyl]phenyl]amino]-
CAS No: 83968-84-7 Catalog No: AG004UKG MDL No:
Product Description
Catalog Number:
AG004UKG
Chemical Name:
9,10-Anthracenedione,1-amino-4-[[3-[(dimethylamino)methyl]phenyl]amino]-
CAS Number:
83968-84-7
Molecular Formula:
C23H21N3O2
Molecular Weight:
371.4317
IUPAC Name:
1-amino-4-[3-[(dimethylamino)methyl]anilino]anthracene-9,10-dione
InChI:
InChI=1S/C23H21N3O2/c1-26(2)13-14-6-5-7-15(12-14)25-19-11-10-18(24)20-21(19)23(28)17-9-4-3-8-16(17)22(20)27/h3-12,25H,13,24H2,1-2H3
InChI Key:
QXIXGQFTPKEPOF-UHFFFAOYSA-N
SMILES:
CN(Cc1cccc(c1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N)C
EC Number:
281-564-7
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.44g/mol
Monoisotopic Mass:
371.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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