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116-77-8 | 9,10-Anthracenedione, 1-amino-2-methyl-4-[(4-methylphenyl)amino]-
CAS No: 116-77-8 Catalog No: AG000BCD MDL No:
Product Description
Catalog Number:
AG000BCD
Chemical Name:
9,10-Anthracenedione, 1-amino-2-methyl-4-[(4-methylphenyl)amino]-
CAS Number:
116-77-8
Molecular Formula:
C22H18N2O2
Molecular Weight:
342.3905
IUPAC Name:
1-amino-2-methyl-4-(4-methylanilino)anthracene-9,10-dione
InChI:
InChI=1S/C22H18N2O2/c1-12-7-9-14(10-8-12)24-17-11-13(2)20(23)19-18(17)21(25)15-5-3-4-6-16(15)22(19)26/h3-11,24H,23H2,1-2H3
InChI Key:
BYGSHXHLDPUXIF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1cc(C)c(c2c1C(=O)c1ccccc1C2=O)N
EC Number:
204-157-8
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.137g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.398g/mol
Monoisotopic Mass:
342.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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