1-Amino-4-((4-((dimethylamino)methyl)phenyl)amino)anthraquinone

Base Information

• Chemical Name: 1-Amino-4-((4-((dimethylamino)methyl)phenyl)amino)anthraquinone
• CAS No.: 12217-43-5
• Molecular Formula: C23H21 N3 O2
• Molecular Weight: 371.43174
• European Community (EC) Number: 235-398-7
• UNII: 8G3UK6793U
• DSSTox Substance ID: DTXSID10153531
• Nikkaji Number: J58.306E
• Wikidata: Q27270370
• Mol file: 12217-43-5.mol

Synonyms:Basic blue 47;12217-43-5;1-Amino-4-((4-((dimethylamino)methyl)phenyl)amino)anthraquinone;EINECS 235-398-7;C.I. Basic Blue 47;UNII-8G3UK6793U;1-amino-4-[[4-[(dimethylamino)methyl]phenyl]amino]anthraquinone;1-amino-4-[4-[(dimethylamino)methyl]anilino]anthracene-9,10-dione;8G3UK6793U;9,10-Anthracenedione, 1-amino-4-((4-((dimethylamino)methyl)phenyl)amino)-;9,10-Anthracenedione, 1-amino-4-[[4-[(dimethylamino)methyl]phenyl]amino]-;C.I.Basic Blue 47;ASTRAZON BLUE 3RL;SUMIACRYL BLUE 3R;LOWACRYL BLUE 47;SUMIACRYL BLUE N 3RL;SCHEMBL2871232;AIZEN CATHILON BLUE 3RLH;BASIC BLUE 47 [INCI];DTXSID10153531;CALCOZINE ACRYLIC BLUE 3RL;1-amino-4-[4-(dimethylaminomethyl)anilino]anthracene-9,10-dione;C.I. 61111;Q27270370;1-Amino-4-({4-[(dimethylamino)methyl]phenyl}amino)anthra-9,10-quinone;ANTHRAQUINONE, 1-AMINO-4-(.ALPHA.-DIMETHYLAMINO-P-TOLUIDINO)-

Chemical Property of 1-Amino-4-((4-((dimethylamino)methyl)phenyl)amino)anthraquinone

Chemical Property:

• Vapor Pressure: 5.25E-13mmHg at 25°C
• Boiling Point: 570ºC at 760 mmHg
• PKA: 9.06±0.28(Predicted)
• Flash Point: 298.5ºC
• PSA: 75.43000
• Density: 1.308g/cm3
• LogP: 4.50360
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 371.16337692
• Heavy Atom Count: 28
• Complexity: 584

Purity/Quality:

99%, ^*data from raw suppliers

BASIC BLUE 47 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O