1-하이드록시에틸에톡시피페라진

1-[2-(2-Hydroxyethoxy)ethyl]piperazine

HCID 139436CAS 13349-82-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCCOCCN1CCNCC1
InChIKey: FLNQAPQQAZVRDA-UHFFFAOYSA-N
분자식: C8H18N2O2
평균 분자량: 174.24 g/mol
단동위원소 질량: 174.13682782

개요

1-(2-(2-Hydroxyethoxy)ethyl)piperazine is a N-alkylpiperazine.

이름 및 식별자

우선 이름: 1-[2-(2-Hydroxyethoxy)ethyl]piperazine
IUPAC: 2-(2-piperazin-1-ylethoxy)ethanol
현지명: 1-하이드록시에틸에톡시피페라진
영어명: 1-Hydroxyethylethoxypiperazine
분자식: C8H18N2O2
분자량: 174.24

이름 및 동의어

13349-82-11-[2-(2-Hydroxyethoxy)ethyl]piperazine1-(2-(2-Hydroxyethoxy)ethyl)piperazineUNII-WWT5E4KNO3WWT5E4KNO3n-hydroxyethoxyethylpiperazineDTXSID601581371-[2-(2-hydroxyethoxy)-ethyl]-piperazineEC 700-022-71-(2-(2-Hydroxyethoxy)-ethyl)-piperazineEC 603-746-01-(2-(2-Hydroxy ethoxy)ethyl)piperazine

이름 더 보기

1-하이드록시에틸에톡시피페라진HEPHEEP2-(2-PIPERAZIN-1-YL-ETHOXY)-ETHANOLQuetiapine intermediateEPB6HEP crystal1-piperazidineHydroxyzine Impurity 1

1-[2-(2-hydroxy ethoxy)ethyl]piperazineRefChem:74024DTXCID4080628FLNQAPQQAZVRDA-UHFFFAOYSA-N2-(2-(Piperazin-1-yl)ethoxy)ethanol2-(2-piperazin-1-ylethoxy)ethanol2-[2-(1-Piperazinyl)ethoxy]ethanolMFCD00074931

데이터베이스 식별자

CAS: 13349-82-1
PubChem CID: 139436
DTXSID: DTXSID60158137
ChEBI: CHEBI:151027
UNII: WWT5E4KNO3
EC Number: 603-746-0、700-022-7
Nikkaji: J68.145H

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 44.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 105

물리화학적 성질

끓는 점: 112 · 112-114 °C0.25 mm Hg(lit.)
밀도: 1.061 g/mL · 1.061 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.497(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 아세톤(약간), 클로로포름(약간), 메탄올(약간)에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 14.41 · 14.41±0.10(Predicted)
Specific Gravity: 1.061 · 1.061
색상: 투명한 무색~황갈색
InChI: InChI=1S/C8H18N2O2/c11-6-8-12-7-5-10-3-1-9-2-4-10/h9,11H,1-8H2
InChIKey: FLNQAPQQAZVRDA-UHFFFAOYSA-N
SMILES: C(O)COCCN1CCNCC1
NIST: 1 · 1-(2-(2-Hydroxyethoxy)ethyl)piperazine(13349-82-1)

화학적 성질

Yellow-Brown Oil

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.9% (1 of 114) of reports.

H412 (91.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 114 reports by companies from 6 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Warning

유해성 정보

Regulatory Information · 2건

Status: Active Update: 17-06-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7846

Status: Active Update: 18-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13378

Hazard Classes and Categories · 2건

Aquatic Chronic 3 (91.2%)

Skin Irrit. 2 (97.8%)

안전 데이터

wgk: 3
HS 번호: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Quetiapine intermediate

상·하류 제품 정보

상류 원료

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

INTATRADE GmbH+49 3493/605464 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

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