tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate
• CAS No.: 904815-39-0
• Molecular Formula: C20H24 N2 O2
• Molecular Weight: 324.42
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00378115
• Mol file: 904815-39-0.mol

Synonyms:904815-39-0;tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate;4-Phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carboxylic acid tert-butyl ester;tert-butyl 2-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylate;MFCD06245547;DTXSID00378115;AKOS005257308;4-Phenyl-2,3,4,5-tetrahydrobenzo[b][1,4]diazepine-1-carboxylic acid tert-butyl ester

Chemical Property of tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate

Chemical Property:

• Vapor Pressure: 1.08E-08mmHg at 25°C
• Refractive Index: 1.56
• Boiling Point: 461.4°Cat760mmHg
• Flash Point: 232.8°C
• PSA: 41.57000
• Density: 1.109g/cm³
• LogP: 5.18800
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 324.183778013
• Heavy Atom Count: 24
• Complexity: 426

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(NC2=CC=CC=C21)C3=CC=CC=C3