1-(2,3-ジクロロフェニル)-ピペラジン一酸

1-(2,3-Dichlorophenyl)piperazine

HCID 851833CAS 41202-77-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Clc1cccc(N2CCNCC2)c1Cl
InChIKey: UDQMXYJSNNCRAS-UHFFFAOYSA-N
分子式: C10H12Cl2N2
平均分子量: 231.12 g/mol
単同位体質量: 230.03775374

名称と識別子

優先名称: 1-(2,3-Dichlorophenyl)piperazine
IUPAC: 1-(2,3-dichlorophenyl)piperazine
現地名: 1-(2,3-ジクロロフェニル)-ピペラジン一酸
英語名: 1-(2,3-Dichlorophenyl)-piperazine
分子式: C10H12Cl2N2
分子量: 231.12

名称と別名

1-(2,3-dichlorophenyl)piperazine41202-77-1Piperazine, 1-(2,3-dichlorophenyl)-2,3-DichlorophenylpiperazineUNII-891W3EV0B1891W3EV0B1DTXSID90961499EC 609-896-3ARIPIPRAZOLE IMPURITY B [EP IMPURITY]ARIPIPRAZOLE IMPURITY B (EP IMPURITY)RefChem:73965DTXCID70814378

名称をさらに表示

1-(2,3-ジクロロフェニル)-ピペラジン一酸1-(2,3-Dichlorophenyl)-piperazine hydrochloride1-(2,3-DICHLOROPHENYL)PIPERAZINE HCL1-(2,3-Dichlorophenyl)piperazine monohydrochlorideTIMTEC-BB SBB003054Aripiprazole USP RC C base1-(2,3-Dichlorphenyl)-piperazine1-(2,3-Dichlorophenyl)piperazine 98%1-(2,3 Dichlorophenyl) Piperzine HCLN-(2,3-DICHLOROPHENYL) PIPERAZINE HCL1-(2,3-DICHLOROPHENYL)-PIPERAZINE >98%

1-(2,3-dichloro phenyl) piperazine1-(2,3-Dichlorophenyl)-Piperazine. HCl609-896-31-(2,3-Dichlorophenyl)-piperazineN-(2,3-Dichlorophenyl)piperazineMFCD010751814-(2,3-dichlorophenyl)piperazineCHEMBL1424807

データベース識別子

CAS: 41202-77-1
PubChem CID: 851833
DTXSID: DTXSID90961499
ChEMBL: CHEMBL1424807
UNII: 891W3EV0B1
EC Number: 609-896-3
Nikkaji: J1.831.558K

物性

構造計算による物性

XLogP: 2.6
極性表面積: 15.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 183

実験および物理化学的性質

DrugsDEA NFLIS-Drug Category -> Piperazines (Hallucinogen)

物理化学的性質

融点: 242 · 242-244°C
沸点: 127 °C/0.8mm · 127°C/0.8mm
比重(密度): 1.272 · 1.272±0.06 g/cm3(Predicted)
酸解離定数(Pka): 8.71 · 8.71±0.10(Predicted)
InChI: InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2
InChIKey: UDQMXYJSNNCRAS-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC(Cl)=C2Cl)CCNCC1
CAS データベース: 41202 · 41202-77-1(CAS DataBase Reference)

化学的性質

化学的特性Brown Oil

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 26-02-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/8096

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

安全データ

risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39

化学と産業

薬理情報

Metabolism/Metabolites2,3-dichlorophenylpiperazine is a known human metabolite of aripiprazole.

上流・下流製品情報

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]