2-Phenyl-1,4-diazepane

Base Information

• Chemical Name: 2-Phenyl-1,4-diazepane
• CAS No.: 105627-85-8
• Molecular Formula: C11H16N2
• Molecular Weight: 176.26
• Hs Code.: 2933990090
• European Community (EC) Number: 837-012-8
• DSSTox Substance ID: DTXSID70378061
• Mol file: 105627-85-8.mol

Synonyms:2-phenyl-1,4-diazepane;105627-85-8;2-PHENYL-[1,4]DIAZEPANE;1H-1,4-Diazepine,hexahydro-2-phenyl-;SCHEMBL9829845;DTXSID70378061;MFCD06245438;AKOS006281493;CS-0215878;EN300-3052309;A898733

Chemical Property of 2-Phenyl-1,4-diazepane

Chemical Property:

• Boiling Point: 302.2 °C at 760 mmHg
• Flash Point: 175.3 °C
• PSA: 24.06000
• Density: 0.976 g/cm³
• LogP: 1.96820
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

98%min ^*data from raw suppliers

2-Phenyl-1,4-diazepane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC(NC1)C2=CC=CC=C2