1-(4-히드록시페닐)피페라진

p-(1-Piperazinyl)phenol

HCID 92467CAS 56621-48-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Oc1ccc(N2CCNCC2)cc1
InChIKey: GPEOAEVZTOQXLG-UHFFFAOYSA-N
분자식: C10H14N2O
평균 분자량: 178.23 g/mol
단동위원소 질량: 178.11061307

이름 및 식별자

우선 이름: p-(1-Piperazinyl)phenol
IUPAC: 4-piperazin-1-ylphenol
현지명: 1-(4-히드록시페닐)피페라진
영어명: 1-(4-Hydroxyphenyl)piperazine
분자식: C10H14N2O
분자량: 178.23

이름 및 동의어

1-(4-Hydroxyphenyl)piperazine56621-48-8p-(1-Piperazinyl)phenolEINECS 260-289-6DTXSID80205197RefChem:857911DTXCID80127688260-289-64-(piperazin-1-yl)phenol4-(1-Piperazinyl)phenol4-piperazin-1-ylphenolN-(4-hydroxyphenyl)piperazine

이름 더 보기

1-(4-히드록시페닐)피페라진RARECHEM AH CK 0119SALOR-INT L497754-1EALABOTEST-BB LT002331984-PIPERAZIN-1-YL-PHENOLKetoconazole Impurity 324-(1-Piperazino)phenol,98%

4-PiperazinophenolMFCD00066156Phenol, 4-(1-piperazinyl)-1-(4-Hydroxyphenyl)-piperazine4-piperazinylphenolEN300-172304-(1-piperazino)phenol4-Piperazinyl phenol

데이터베이스 식별자

CAS: 56621-48-8
PubChem CID: 92467
DTXSID: DTXSID80205197
UNII: A2SA24RA7S
EC Number: 260-289-6
Nikkaji: J267.059C

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 149

물리화학적 성질

녹는점: 220 °C · 220 °C
끓는 점: 371.3 · 371.3±27.0 °C(Predicted)
밀도: 1.141 · 1.141±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 가루
산도 계수 (pKa): 12.18 · 12.18±0.30(Predicted)
색상: 갈색을 띠는
BRN: 150964 · 150964
InChI: InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
InChIKey: GPEOAEVZTOQXLG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(N2CCNCC2)C=C1
LogP: 0.374 · 0.374

화학적 성질

brownish powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.

Danger

H314 (10.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.