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

HCID 2865149CAS 16264-08-7

基本情報

標準SMILES: CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIKey: QUZMCJMGHMRZHA-UHFFFAOYSA-N
分子式: C12H15N3O3
平均分子量: 249.27 g/mol
単同位体質量: 249.11134134

名称と識別子

優先名称: 1-Acetyl-4-(4-nitrophenyl)piperazine
IUPAC: 1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
英語名: 1-Acetyl-4-(4-nitrophenyl)piperazine
分子式: C12H15N3O3
分子量: 249.27

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.1
極性表面積: 69.4 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 18
形式電荷: 0
複雑度: 313

物理化学的性質

融点: 150 · 150-151 °C
沸点: 476.6 · 476.6±40.0 °C(Predicted)
比重(密度): 1.272 · 1.272±0.06 g/cm3(Predicted)
外見: solid
酸解離定数(Pka): 1.61 · 1.61±0.10(Predicted)
色: Yellow

安全と法規制

GHS分類

GHS Classification · 4 件

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.