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

개요

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

이름 및 식별자

우선 이름: 1-(2-Methoxyphenyl)piperazine
IUPAC: 1-(2-methoxyphenyl)piperazine
현지명: 1-(2-메톡시페닐)피페라진
영어명: 1-(2-Methoxyphenyl)piperazine
분자식: C11H16N2O
분자량: 192.26

이름 및 동의어

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

이름 더 보기

1-(2-메톡시페닐)피페라진D 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 24.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 169

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점: 35 · 35-40 °C (lit.)
끓는 점: 130 · 130-133 °C/0.1 mmHg (lit.)
밀도: 1.095 g/mL · 1.095 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.575(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 녹은 후에 액체
산도 계수 (pKa): 8.98 · 8.98±0.10(Predicted)
색상: 무색~황색으로 투명함
수용성: 클로로포름, 에틸 아세테이트 및 메탄올에 용해됩니다. 물에 불용성
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

화학적 성질

clear colorless to yellow liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

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

안전 데이터

wgk: 3
ridadr: UN 3263 8/PG 3
HS 번호: 29349990
risk_code: 34-36/37/38
hazard_code: C,Xi
safety_code: 26-36/37/39-45-28A-36
포장분류: Ⅲ
위험 등급: 8
F 고인화성물질: 3-10
위험 참고 사항: Irritant
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도1-(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.