1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane
Basic information
- CAS
280560-78-3- Standard SMILES
CN1CCCN(Cc2ccc(Br)cc2)CC1- InChIKey
WQUWRVLHCKJAMG-UHFFFAOYSA-N- Molecular formula
- C13H19BrN2
- Average molar mass
- 283.21 g/mol
- Monoisotopic mass
- 282.07316
Names & identifiers
- Preferred name
- 1-[(4-Bromophenyl)methyl]-4-methyl-1,4-diazepane
- IUPAC
- 1-[(4-bromophenyl)methyl]-4-methyl-1,4-diazepane
- English name
- 1-(4-Bromobenzyl)-4-methylperhydro-1,4-diazepine
- Molecular formula
- C13H19BrN2
- Molecular weight
- 283.21
Names & synonyms
280560-78-31-[(4-bromophenyl)methyl]-4-methyl-1,4-diazepane1-(4-Bromobenzyl)-4-methylperhydro-1,4-diazepine1-(4-bromobenzyl)-4-methyl-1,4-diazepaneMFCD00810550Cambridge id 5258520Oprea1_025373Oprea1_291678SCHEMBL16095812DTXSID50354085STK127862AKOS005402346
Show more names
1-(4-Bromobenzyl)-4-methylhomopiperazine1-(4-Bromobenzyl)-4-methylhomopiperazine97%1-(4-Bromobenzyl)-4-methylhomopiperazine 97%1H-1,4-Diazepine, 1-[(4-bromophenyl)methyl]hexahydro-4-methyl-
MS-22515DB-067871AB00077108-01EN300-1196878
Database identifiers
- CAS
280560-78-3- PubChem CID
- 763047
- DTXSID
DTXSID50354085
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 190 °C · 190 °C
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- 9.35 · 9.35±0.10(Predicted)
- Hazard Codes
- C
- Hazard Note
- Corrosive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- C
- hazard_note
- Corrosive
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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