(4aR,9aS)-8-(4-tert-butylanilino)-1-hydroxy-5-(propan-2-ylamino)-4a,9a-dihydroanthracene-9,10-dione

Base Information

• Chemical Name: (4aR,9aS)-8-(4-tert-butylanilino)-1-hydroxy-5-(propan-2-ylamino)-4a,9a-dihydroanthracene-9,10-dione
• CAS No.: 85011-89-8
• Molecular Formula: C27H30N2O3
• Molecular Weight: 430.5387
• Wikidata: Q76280295
• Mol file: 85011-89-8.mol

Synonyms:C27-H28-N2-O3

Chemical Property of (4aR,9aS)-8-(4-tert-butylanilino)-1-hydroxy-5-(propan-2-ylamino)-4a,9a-dihydroanthracene-9,10-dione

Chemical Property:

• Vapor Pressure: 1.43E-17mmHg at 25°C
• Boiling Point: 646°Cat760mmHg
• Flash Point: 344.5°C
• PSA: 78.43000
• Density: 1.235g/cm³
• LogP: 6.31710
• XLogP3: 7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 430.22564282
• Heavy Atom Count: 32
• Complexity: 785

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1=C2C(=O)C3C=CC=C(C3C(=O)C2=C(C=C1)NC4=CC=C(C=C4)C(C)(C)C)O
• Isomeric SMILES: CC(C)NC1=C2C(=O)[C@@H]3C=CC=C([C@H]3C(=O)C2=C(C=C1)NC4=CC=C(C=C4)C(C)(C)C)O