1-(2,3-디클로로페닐)-피페라진염산염

1-(2,3-Dichlorophenyl)piperazine

HCID 851833CAS 41202-77-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Clc1cccc(N2CCNCC2)c1Cl
InChIKey
UDQMXYJSNNCRAS-UHFFFAOYSA-N
분자식
C10H12Cl2N2
평균 분자량
231.12 g/mol
단동위원소 질량
230.03775374

이름 및 식별자

우선 이름
1-(2,3-Dichlorophenyl)piperazine
IUPAC
1-(2,3-dichlorophenyl)piperazine
현지명
1-(2,3-디클로로페닐)-피페라진염산염
영어명
1-(2,3-Dichlorophenyl)-piperazine
분자식
C10H12Cl2N2
분자량
231.12

이름 및 동의어

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
이름 더 보기
1-(2,3-디클로로페닐)-피페라진염산염1-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.6
극성 표면적
15.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
14

실험 및 물리화학적 성질

DrugsDEA NFLIS-Drug Category -> Piperazines (Hallucinogen)

물리화학적 성질

녹는점
242 · 242-244°C
끓는 점
127 °C/0.8mm · 127°C/0.8mm
밀도
1.272 · 1.272±0.06 g/cm3(Predicted)
산도 계수 (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

화학적 성질

Brown Oil

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory InformationStatus: Active Update: 26-02-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/8096
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

안전 데이터

risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37/39
위험 참고 사항
Irritant

화학 및 산업

약리 정보

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

상·하류 제품 정보

공급사50 곳

济南百隆化学有限公司[email protected] · [email protected]
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]

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