2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone

Base Information

• Chemical Name: 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone
• CAS No.: 6998-62-5
• Molecular Formula: C22H30 O5
• Molecular Weight: 394.8972
• DSSTox Substance ID: DTXSID00364230
• Wikidata: Q82148073
• Mol file: 6998-62-5.mol

Synonyms:6998-62-5;DTXSID00364230;2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone

Chemical Property of 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone

Chemical Property:

• Vapor Pressure: 7.62E-15mmHg at 25°C
• Boiling Point: 610.5°Cat760mmHg
• Flash Point: 323°C
• Density: 1.27g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 394.1560391
• Heavy Atom Count: 28
• Complexity: 505

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=NN=C(N2CC1)N(CC3=CC=C(C=C3)Cl)CC(=O)C4=CC=CC=C4