1-Bromo-3-(4-methylpiperazinocarbonyl)benzene
Basic information
- CAS
331274-67-0- Standard SMILES
CN1CCN(C(=O)c2cccc(Br)c2)CC1- InChIKey
UWDFKAKQJOXLHT-UHFFFAOYSA-N- Molecular formula
- C12H15BrN2O
- Average molar mass
- 283.16 g/mol
- Monoisotopic mass
- 282.03678
Names & identifiers
- Preferred name
- 1-Bromo-3-(4-methylpiperazinocarbonyl)benzene
- IUPAC
- (3-bromophenyl)-(4-methylpiperazin-1-yl)methanone
- English name
- 1-(3-Bromophenyl)carbonyl-4-methylpiperazine
- Molecular formula
- C12H15BrN2O
- Molecular weight
- 283.16
Names & synonyms
331274-67-01-Bromo-3-(4-methylpiperazinocarbonyl)benzeneDTXSID90353810RefChem:1055038DTXCID00304873(3-bromophenyl)(4-methylpiperazin-1-yl)methanone1-(3-bromobenzoyl)-4-methylpiperazine(3-bromophenyl)-(4-methylpiperazin-1-yl)methanoneMFCD00594888CBDivE_0142031-(3-Bromophenyl)carbonyl-4-methylpiperazineOprea1_764450
Show more names
Methanone, (3-bromophenyl)(4-methyl-1-piperazinyl)-(3-Bromophenyl)(4-methylpiperazin-1-yl)methanone - [B89396]
SCHEMBL1688347STK408101AKOS0001786143-bromophenyl 4-methylpiperazinyl ketoneBS-17018SY270214DB-362033CS-0151087
Database identifiers
- CAS
331274-67-0- PubChem CID
- 754228
- DTXSID
DTXSID90353810
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 386.3 · 386.3±37.0 °C(Predicted)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.69 · 6.69±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Related reactions
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Compound notes
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