Hycanthone N-methylcarbamate

Base Information

• Chemical Name: Hycanthone N-methylcarbamate
• CAS No.: 97779-04-9
• Molecular Formula: C22H27N3O3S
• Molecular Weight: 413.5331
• NSC Number: 313385
• DSSTox Substance ID: DTXSID50243243
• Wikidata: Q83127275
• ChEMBL ID: CHEMBL420975
• Mol file: 97779-04-9.mol

Synonyms:hycanthone N-methylcarbamate

Chemical Property of Hycanthone N-methylcarbamate

Chemical Property:

• Vapor Pressure: 2.04E-15mmHg at 25°C
• Boiling Point: 622.5°Cat760mmHg
• Flash Point: 330.3°C
• PSA: 102.40000
• Density: 1.242g/cm³
• LogP: 4.30180
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 413.17731291
• Heavy Atom Count: 29
• Complexity: 557

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCNC1=C2C(=C(C=C1)COC(=O)NC)SC3=CC=CC=C3C2=O