1-[(3-Bromophenyl)methyl]-4-methyl-1,4-diazepane

Base Information

• Chemical Name: 1-[(3-Bromophenyl)methyl]-4-methyl-1,4-diazepane
• CAS No.: 414885-80-6
• Molecular Formula: C13H19BrN2
• Molecular Weight: 283.21
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40354150
• Wikidata: Q82132141
• Mol file: 414885-80-6.mol

Synonyms:414885-80-6;1-[(3-bromophenyl)methyl]-4-methyl-1,4-diazepane;1-(3-bromobenzyl)-4-methyl-1,4-diazepane;1-(3-bromobenzyl)-4-methylperhydro-1,4-diazepine;1-(3-Bromobenzyl)-4-methylhomopiperazine;1H-1,4-Diazepine,1-[(3-bromophenyl)methyl]hexahydro-4-methyl-;Cambridge id 5266396;Oprea1_174074;DTXSID40354150;MFCD00811036;STK128946;AKOS005402372;MS-22496;CS-0301013;FT-0724163;AB00077976-01;EN300-1196883;SR-01000202249;SR-01000202249-1

Chemical Property of 1-[(3-Bromophenyl)methyl]-4-methyl-1,4-diazepane

Chemical Property:

• Vapor Pressure: 0.000112mmHg at 25°C
• Refractive Index: 1.563
• Boiling Point: 336.4 °C at 760 mmHg
• Flash Point: 157.3 °C
• PSA: 6.48000
• Density: 1.282 g/cm³
• LogP: 2.46240
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 282.07316
• Heavy Atom Count: 16
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

1-(3-BROMOBENZYL)-4-METHYLPERHYDRO-1,4-DIAZEPINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCN(CC1)CC2=CC(=CC=C2)Br