1-(3-히드록시페닐) 피페라진

1-(3-Hydroxyphenyl)piperazine

HCID 2736597CAS 59817-32-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Oc1cccc(N2CCNCC2)c1
InChIKey: AYGYICRITMSJOC-UHFFFAOYSA-N
분자식: C10H14N2O
평균 분자량: 178.23 g/mol
단동위원소 질량: 178.11061307

이름 및 식별자

우선 이름: 1-(3-Hydroxyphenyl)piperazine
IUPAC: 3-piperazin-1-ylphenol
현지명: 1-(3-히드록시페닐) 피페라진
영어명: 1-(3-Hydroxyphenyl)piperazine
분자식: C10H14N2O
분자량: 178.23

이름 및 동의어

59817-32-21-(3-Hydroxyphenyl)piperazineDTXSID00371469RefChem:224430DTXCID10322503626-688-83-(piperazin-1-yl)phenol3-piperazin-1-ylphenol1-(3-Hydroxyphenyl) piperazine3-(1-piperazinyl)phenoln-(3-hydroxyphenyl)piperazinePhenol, 3-(1-piperazinyl)-

이름 더 보기

1-(3-히드록시페닐)피페라진RARECHEM AH CK 0118Letomovir impurity 203-(Piperazin-1-yl)phenol 97%Phenol, 3-(1-piperazinyl)- (9CI)1-(3-Hydroxyphenyl)piperazine 97%

MFCD000528961-(3-HYDROXYPHENYL)-PIPERAZINE3-(1-Piperazino)phenol3-piperazinylphenol3-hydroxyphenylpiperazine3-piperazin-1-yl-phenol3-hydroxyphenyl piperazine3-piperazine-1-yl-phenol

데이터베이스 식별자

CAS: 59817-32-2
PubChem CID: 2736597
DTXSID: DTXSID00371469
UNII: E3L3E63W9X
EC Number: 626-688-8
Nikkaji: J2.085.760I

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: 157

물리화학적 성질

녹는점: 217 · 217-221 °C (lit.)
끓는 점: 371.3 · 371.3±27.0 °C(Predicted)
밀도: 1.141 · 1.141±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light, stored under nitrogen
산도 계수 (pKa): 10.33 · 10.33±0.10(Predicted)
물리적 상태: solid
BRN: 4248583 · 4248583
InChI: InChI=1S/C10H14N2O/c13-10-3-1-2-9(8-10)12-6-4-11-5-7-12/h1-3,8,11,13H,4-7H2
InChIKey: AYGYICRITMSJOC-UHFFFAOYSA-N
SMILES: C1(O)=CC=CC(N2CCNCC2)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 2933599590
risk_code: 22-37/38-41
hazard_code: Xn,C
safety_code: 26-36/37/39
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects