N,N'-Dimethylquinacridone CAS NO.19205-19-7

1. Introduction ofN,N'-Dimethylquinacridone The N,N'-Dimethylquinacridone, with its CAS NO19205-19-7, is a kind of Off-white po…

 1. Introduction of N,N'-Dimethylquinacridone

 

The N,N'-Dimethylquinacridone, with its CAS NO 19205-19-7, is a kind of Off-white powder. It has synonyms of DMQA;N,N'-Dimethylquinacridone;5,12-Dihydro-5,12-dimethylquino[2,3-b]acridine-7,14-dione. N,N'-Dimethylquinacridone should be stored in shady and cool warehouse.
 

2. Properties of N,N'-Dimethylquinacridone

 

(1) XLogP3-AA 4.3 (2) H-Bond Acceptor 4 (3) Exact Mass 340.121178 
(4) MonoIsotopic Mass 340.121178 (5) Topological Polar Surface Area 40.6

(6) Heavy Atom Count 26  (7) Complexity 553 (8) Covalently-Bonded Unit Count 1 
(9) Feature 3D Acceptor Count 2 (10) Feature 3D Cation Count 2 
(11) Feature 3D Ring Count 5 (12) Conformer Sampling RMSD 0.6 
(13) CID Conformer Count 1

 

3. Structure descriptors of N,N'-Dimethylquinacridone

 

IUPAC Name: 5,12-dimethylquinolino[2,3-b]acridine-7,14-dione

InChI: InChI=1S/C22H16N2O2/c1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)
23)22(26)14-8-4-6-10-18(14)24(20)2/h3-12H,1-2H3

InChIKey: SCZWJXTUYYSKGF-UHFFFAOYSA-N

Canonical SMILES : CN1C2=CC=CC=C2C(=O)C3=CC4=C(C=C31)C(=O)C5=CC=CC=C5N4C