2-フェニルピペラジン

2-Phenylpiperazine

HCID 250673

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5271-26-1
標準SMILES: c1ccc(C2CNCCN2)cc1
InChIKey: RIMRLBGNCLMSNH-UHFFFAOYSA-N
分子式: C10H14N2
平均分子量: 162.23 g/mol
単同位体質量: 162.11569845

名称と識別子

優先名称: 2-Phenylpiperazine
IUPAC: 2-phenylpiperazine
現地名: 2-フェニルピペラジン
英語名: 2-Phenylpiperazine
分子式: C10H14N2
分子量: 162.23

名称と別名

2-PhenylpiperazineDTXSID60290682RefChem:478207DTXCID30241828627-379-0691-359-85271-26-12-phenyl-piperazineMFCD01871362PIPERAZINE, 2-PHENYL-3-PhenylpiperazineNSC70392

名称をさらに表示

2-フェニルピペラジン2-Phenylpiperizinem-phenylpiperazine2-Phenylpiperazine 97%2-Phenylpiperazine ISO 9001：2015 REACH

(RS)-2-phenylpiperazine2-Phenylpiperazine, 96%(2R)-2-Phenyl-piperazine(2S)-2-Phenyl-piperazineNCIOpen2_000459(+,-)-2-phenyl-piperazine(+/-)-3-phenyl piperazineSCHEMBL451612

データベース識別子

CAS: 5271-26-1
PubChem CID: 250673
DTXSID: DTXSID60290682
EC Number: 627-379-0
Nikkaji: J1.957.938G

物性

構造計算による物性

XLogP: 0.7
極性表面積: 24.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 130

物理化学的性質

融点: 83 · 83-87 °C (lit.)
沸点: 138 °C · 138 °C
比重(密度): 0.997 · 0.997±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 8.8 · 8.80±0.40(Predicted)
外見: solid
色: Yellow
InChI: 1S/C10H14N2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-12H,6-8H2
InChIKey: RIMRLBGNCLMSNH-UHFFFAOYSA-N
SMILES: C1CNC(CN1)c2ccccc2
CAS データベース: 5271 · 5271-26-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

安全データ

wgk: 2
ridadr: UN3259
hs_code: 29335990
risk_code: 22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37
hazard_class: 8
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用2-Phenylpiperazine is the starting material for the synthesis of 2-phenylpiperazine compounds. It has been synthesized 1,4-dimethyl-2-phenylpiperazine, 1,4-diethyl-2-phenyl Piperazine etc.