1-(2-메톡시페닐)피페라진염산염

N-(2-Methoxyphenyl)piperazine hydrochloride

HCID 9899402CAS 5464-78-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccccc1N1CCNCC1.Cl
InChIKey: DDMVHGULHRJOEC-UHFFFAOYSA-N
분자식: C11H17ClN2O
평균 분자량: 228.72 g/mol
단동위원소 질량: 228.10294084

이름 및 식별자

우선 이름: N-(2-Methoxyphenyl)piperazine hydrochloride
IUPAC: 1-(2-methoxyphenyl)piperazine;hydrochloride
현지명: 1-(2-메톡시페닐)피페라진염산염
영어명: 1-(2-Methoxyphenyl)piperazine hydrochloride
분자식: C11H17ClN2O
분자량: 228.71848

이름 및 동의어

1-(2-Methoxyphenyl)piperazine hydrochloride5464-78-8N-(2-Methoxyphenyl)piperazine hydrochlorideDTXSID50514403XQ74IHW73Piperazine, 1-(2-methoxyphenyl)-, monohydrochloride2-MEOPP HCLEINECS 226-762-6NSC-28709PIPERAZINE, 1-(2-METHOXYPHENYL)-, HYDROCHLORIDE (1:1)1-(2-Methoxyphenyl)piperazinium chlorideDTXCID0030037

이름 더 보기

1-(2-메톡시페닐)피페라진염산염TIMTEC-BB SBB003293Urapidil Impurity B)piperazine hydrochLLABOTEST-BB LT00159868Urapidil Impurity 6 HClNatalizumab (Anti-CD49d)1,3-dimethyl-17-nitrosourea2-MethoxyphenylPiperazineHClo-Methoxyphenyl Piperazine HCl

1-(2-methoxyphenyl)piperazine monohydrochlorideNSC 287091-[2-methoxyphenyl)piperazine hydrochlorideRefChem:825588MFCD000127621-(2-methoxyphenyl)piperazine;hydrochlorideNCGC00094390-01Ompp

데이터베이스 식별자

CAS: 5464-78-8、66373-53-3
PubChem CID: 9899402
DTXSID: DTXSID5051440
ChEMBL: CHEMBL1256365
UNII: 3XQ74IHW73
EC Number: 226-762-6

물성

구조 계산 물성

극성 표면적: 24.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 169

실험 및 물리화학적 성질

Solubility28.2 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 217 · 217-219 °C(lit.)
끓는 점: 130 · 130-133C
밀도: 1.106 g/cm · 1.106g/cm
굴절률: 1 · 1,574-1,576
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO와 메탄올에 용해됩니다.
물리적 상태: 결정성 고체
BRN: 4276925 · 4276925
InChI: InChI=1S/C11H16N2O.ClH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H
InChIKey: DDMVHGULHRJOEC-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2OC)CCNCC1.[H]Cl

화학적 성질

1-(2-Methoxyphenyl)piperazine hydrochloride is Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.5% (1 of 67) of reports.

Danger

H301 (40.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 67 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 08-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18848

Hazard Classes and CategoriesAcute Tox. 3 (40.3%)

안전 데이터

wgk: 3
ridadr: UN2811
HS 번호: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-28A
포장분류: III
위험 등급: 6.1
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]

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

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