9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-[(phenylmethyl)amino]-

Base Information

• Chemical Name: 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-[(phenylmethyl)amino]-
• CAS No.: 67674-27-5
• Molecular Formula: C21H15BrN2O4
• Molecular Weight: 439.2588
• European Community (EC) Number: 266-866-9
• DSSTox Substance ID: DTXSID7070551
• Nikkaji Number: J333.282I
• Wikidata: Q81997892
• Mol file: 67674-27-5.mol

Synonyms:1-Amino-8-(benzylamino)-2-bromo-4,5-dihydroxyanthraquinone;67674-27-5;EINECS 266-866-9;9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-[(phenylmethyl)amino]-;9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)-;1-Amino-2-bromo-4,5-dihydroxy-8-((phenylmethyl)amino)anthraquinone;1-AMINO-2-BROMO-4,5-DIHYDROXY-8-[(PHENYLMETHYL)AMINO]ANTHRAQUINONE;DTXSID7070551;1-Amino-2-bromo-4,5-dihydroxy-8-[(phenylmethyl)amino]-9,10-anthraquinone

Chemical Property of 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-[(phenylmethyl)amino]-

Chemical Property:

• Vapor Pressure: 1.15E-20mmHg at 25°C
• Boiling Point: 707.2°C at 760 mmHg
• Flash Point: 381.5°C
• PSA: 112.65000
• Density: 1.725g/cm³
• LogP: 4.48420
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 438.02152
• Heavy Atom Count: 28
• Complexity: 611

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=C3C(=C(C=C2)O)C(=O)C4=C(C3=O)C(=C(C=C4O)Br)N