1-(4-Bromobenzoyl)-4-methylpiperazine

HCID 4464352

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Basic information

CAS: 349395-87-5
Standard SMILES: CN1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIKey: JNOKTDFRPPBDGI-UHFFFAOYSA-N
Molecular formula: C12H15BrN2O
Average molar mass: 283.16 g/mol
Monoisotopic mass: 282.03678

Names & identifiers

Preferred name: 1-(4-Bromobenzoyl)-4-methylpiperazine
IUPAC: (4-bromophenyl)-(4-methylpiperazin-1-yl)methanone
English name: 1-(4-bromobenzoyl)-4-methylpiperazine
Molecular formula: C12H15BrN2O
Molecular weight: 283.16

Names & synonyms

349395-87-51-(4-Bromobenzoyl)-4-methylpiperazineDTXSID70403569RefChem:224845DTXCID90354423(4-bromophenyl)(4-methylpiperazin-1-yl)methanone(4-bromophenyl)-(4-methylpiperazin-1-yl)methanoneMFCD004488361-[(4-bromophenyl)carbonyl]-4-methylpiperazine(4-bromo-phenyl)-(4-methyl-piperazin-1-yl)-methanoneOprea1_017877SCHEMBL578679

Show more names

(4-methylpiperazin-1-yl)Piperazine, 1-(4-broMobenzoyl)-4-Methyl-Methanone, (4-bromophenyl)(4-methyl-1-piperazinyl)-

JNOKTDFRPPBDGI-UHFFFAOYSA-NHMS5166B04ZNA39587STK408102AKOS0001807614-bromophenyl 4-methylpiperazinyl ketoneST000756SY185407

Database identifiers

CAS: 349395-87-5
PubChem CID: 4464352
DTXSID: DTXSID70403569

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 243

Physicochemical properties

Boiling point: 385.1 · 385.1±37.0 °C(Predicted)
Density: 1.403 · 1.403
storage temp.: 2 · 2-8°C
pka: 6.67 · 6.67±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 303 · H303+H313-H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P312-P332+P313-P337+P313-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H303+H313-H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P312-P332+P313-P337+P313-P403+P233-P405-P501