1-Acetyl-4-(4-nitrophenyl)piperazine

HCID 2865149

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 16264-08-7
Standard SMILES: CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIKey: QUZMCJMGHMRZHA-UHFFFAOYSA-N
Molecular formula: C12H15N3O3
Average molar mass: 249.27 g/mol
Monoisotopic mass: 249.11134134

Names & identifiers

Preferred name: 1-Acetyl-4-(4-nitrophenyl)piperazine
IUPAC: 1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
English name: 1-Acetyl-4-(4-nitrophenyl)piperazine
Molecular formula: C12H15N3O3
Molecular weight: 249.27

Names & synonyms

16264-08-71-Acetyl-4-(4-nitrophenyl)piperazineDTXSID303865411-acetyl-4-{4-nitrophenyl}piperazineRefChem:227309DTXCID80337563640-943-01-[4-(4-nitrophenyl)piperazin-1-yl]ethanone1-[4-(4-Nitrophenyl)piperazin-1-yl]ethan-1-one1-(4-(4-Nitrophenyl)piperazin-1-yl)ethanoneEthanone, 1-[4-(4-nitrophenyl)-1-piperazinyl]-MFCD00248261

Show more names

1-[4-(4-nitrophenyl)-1-piperazinyl]ethanoneEthanone,1-[4-(4-nitrophenyl)-1-piperazinyl]-1-Acetyl-4-(4-nitrophenyl)piperazine, 4-(4-Acetylpiperazin-1-yl)nitrobenzene

1-acetyl-4-(4-nitrophenyl) piperazine1-(4-(4-Nitrophenyl)piperazin-1-yl)ethan-1-onestarbld0016876Cambridge id 5728711Oprea1_6222041-[4-(4-Nitro-phenyl)-piperazin-1-yl]-ethanoneMLS000711772SCHEMBL2074819

Database identifiers

CAS: 16264-08-7
PubChem CID: 2865149
DTXSID: DTXSID30386541
ChEMBL: CHEMBL1504825
EC Number: 640-943-0

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 69.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 313

Physicochemical properties

Melting point: 150 · 150-151 °C
Boiling point: 476.6 · 476.6±40.0 °C(Predicted)
Density: 1.272 · 1.272±0.06 g/cm3(Predicted)
form: solid
pka: 1.61 · 1.61±0.10(Predicted)
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H302+H312+H332-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Safety data

hs_code: 2933599590
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H302+H312+H332-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362