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128-85-8 | 1-(Methylamino)-4-p-toluidinoanthraquinone
CAS No: 128-85-8 Catalog No: AG0035MJ MDL No:MFCD00045354
Product Description
Catalog Number:
AG0035MJ
Chemical Name:
1-(Methylamino)-4-p-toluidinoanthraquinone
CAS Number:
128-85-8
Molecular Formula:
C22H18N2O2
Molecular Weight:
342.3905
MDL Number:
MFCD00045354
IUPAC Name:
1-(methylamino)-4-(4-methylanilino)anthracene-9,10-dione
InChI:
InChI=1S/C22H18N2O2/c1-13-7-9-14(10-8-13)24-18-12-11-17(23-2)19-20(18)22(26)16-6-4-3-5-15(16)21(19)25/h3-12,23-24H,1-2H3
InChI Key:
ITYXXSSJBOAGAR-UHFFFAOYSA-N
SMILES:
CNc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)C
EC Number:
204-912-1
NSC Number:
39906
Properties
Complexity:
540
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:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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