1-(2-Methoxyphenyl)piperazine (HCID 1346)

概要

1-(2-methoxyphenyl)piperazine is a member of piperazines.

名称と識別子

優先名称: 1-(2-Methoxyphenyl)piperazine
IUPAC: 1-(2-methoxyphenyl)piperazine
現地名: 1-(2-メトキシフェニル)ピペラジン
英語名: 1-(2-Methoxyphenyl)piperazine
分子式: C11H16N2O
分子量: 192.26

名称と別名

1-(2-Methoxyphenyl)piperazine35386-24-4N-(2-methoxyphenyl)piperazine81NJO1330Ao-methoxyphenylpiperazineDTXSID40188871D-15157RefChem:4224241-(ortho-methoxyphenyl)piperazineDTXCID00111362252-537-71-(2-Methoxyphenyl)-piperazine

名称をさらに表示

1-(2-メトキシフェニル)ピペラジン4-(2-メトキシフェニル)ピペラジン1-(o-メトキシフェニル)ピペラジン4-[2-メトキシフェニル]ピペラジン2-ピペラジノアニソール1（2メトキシフェニル）ピペラジン2-(1-ピペラジニル)アニソールD 15157AKOS BBS-00003584Uradil impurity 18Urapidil Impurity 6TIMTEC-BB SBB003620RARECHEM AH CK 01262-PiperazinoanisoleUrapidil Impurity CLABOTEST-BB LT00233095

2-MPP1-(o-Methoxyphenyl)piperazinePiperazine, 1-(2-methoxyphenyl)-1-(2-Methoxy-phenyl)-piperazineMFCD000059582-methoxyphenylpiperazine1-(2-methoxy phenyl) piperazine1-(o-Anisyl)piperazine

データベース識別子

CAS: 35386-24-4
PubChem CID: 1346
DTXSID: DTXSID40188871
ChEMBL: CHEMBL9666
ChEBI: CHEBI:104020
UNII: 81NJO1330A
EC Number: 252-537-7
Nikkaji: J149.916E

物性

構造計算による物性

XLogP: 1.4
極性表面積: 24.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 169

実験および物理化学的性質

DrugsDEA NFLIS-Drug Category -> Piperazines (Stimulant)

LogP1.09

Collision Cross Section140.5 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点: 35 · 35-40 °C (lit.)
沸点: 130 · 130-133 °C/0.1 mmHg (lit.)
比重(密度): 1.095 g/mL · 1.095 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.575(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
外見: 融解後の液体
酸解離定数(Pka): 8.98 · 8.98±0.10(Predicted)
色: 無色透明～黄色
水溶解度: クロロホルム、酢酸エチル、メタノールに可溶。水に不溶
BRN: 167888 · 167888
InChI: InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey: VNZLQLYBRIOLFZ-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2OC)CCNCC1
LogP: 1.67 · 1.67
CAS データベース: 35386 · 35386-24-4(CAS DataBase Reference)

化学的性質

化学的特性clear colorless to yellow liquid after melting

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 12.3% (7 of 57) of reports.

Danger

H314 (84.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 9 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationStatus: Active Update: 19-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20083

Hazard Classes and CategoriesSkin Corr. 1B (84.2%)

安全データ

F: 3-10
wgk: 3
ridadr: UN 3263 8/PG 3
hs_code: 29349990
risk_code: 34-36/37/38
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-28A-36
hazard_class: 8
packing_group: Ⅲ
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 1 件

使用1-(2-Methoxyphenyl)piperazine can be used:To functionalize pyrazolylvinyl ketones via Aza-Michael addition reaction.To prepare cyclic amine substituted Trger′s base derivatives.To prepare functionalized bis(mercaptoimidazolyl)borates by reacting with the activated ester, [(1-methyl-2-mercaptoimidazol-5-yl)carbonyl]succinimide.