1-{[4-(Trifluoromethyl)phenyl]methyl}-1,4-diazepane

Base Information

• Chemical Name: 1-{[4-(Trifluoromethyl)phenyl]methyl}-1,4-diazepane
• CAS No.: 340759-28-6
• Molecular Formula: C₁₃H₁₇F₃N₂
• Molecular Weight: 258.287
• DSSTox Substance ID: DTXSID601170056
• Mol file: 340759-28-6.mol

Synonyms:1-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepane;340759-28-6;1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;1-(4-(Trifluoromethyl)benzyl)-1,4-diazepane;1-[4-(trifluoromethyl)benzyl]-1,4-diazepane;SCHEMBL23632710;GHYJRTOWLYPXHK-UHFFFAOYSA-N;DTXSID601170056;MFCD03407502;AKOS009089220;EN300-24149;Hexahydro-1-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,4-diazepine

Chemical Property of 1-{[4-(Trifluoromethyl)phenyl]methyl}-1,4-diazepane

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 258.13438304
• Heavy Atom Count: 18
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

1-{[4-(Trifluoromethyl)phenyl]methyl}-1,4-diazepane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CNCCN(C1)CC2=CC=C(C=C2)C(F)(F)F