Piperazin-1-ylpropanol

HCID 79207

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5317-32-8
표준 SMILES: OCCCN1CCNCC1
InChIKey: LWEOFVINMVZGAS-UHFFFAOYSA-N
분자식: C7H16N2O
평균 분자량: 144.21 g/mol
단동위원소 질량: 144.12626313

이름 및 식별자

우선 이름: Piperazin-1-ylpropanol
IUPAC: 3-piperazin-1-ylpropan-1-ol
영어명: 1-Piperazinepropanol
분자식: C7H16N2O
분자량: 144.21

이름 및 동의어

5317-32-81-PiperazinepropanolPiperazin-1-ylpropanolEINECS 226-176-0DTXSID20201234RefChem:863393DTXCID20123725226-176-03-(Piperazin-1-Yl)Propan-1-Ol1-(3-HYDROXYPROPYL)PIPERAZINE1-(3-Hydroxypropyl)-piperazine3-piperazin-1-ylpropan-1-ol

이름 더 보기

1-Piperazinepropano1-Piperazine-1-propanol1-Piperazinepropanol 97%1-Piperazinepropanol,98%3-(1-Piperazinyl)propanolN-(3-Hydroxypropyl)piperazine

MFCD000231323-(1-piperazinyl)-1-propanol1-(3-Hydroxypropyl)-4-piperazine1-(3-Hydroxy-1-propyl)piperazineHydroxypropyl-piperazinQuetiapine Impurity 70piperazin-1-ylpropan-ol3-piperazinylpropan-1-ol

데이터베이스 식별자

CAS: 5317-32-8
PubChem CID: 79207
DTXSID: DTXSID20201234
ChEMBL: CHEMBL4552088
EC Number: 226-176-0
Nikkaji: J265.542J

물성

구조 계산 물성

XLogP: -0.7
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 81.7

물리화학적 성질

녹는점: 49 · 49-53 °C (lit.)
끓는 점: 94 · 94-96°C/1.8mm
밀도: 0.993 · 0.993±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 15.1 · 15.10±0.10(Predicted)
물리적 상태: 고체
색상: Colourless ified liquid
InChI: 1S/C7H16N2O/c10-7-1-4-9-5-2-8-3-6-9/h8,10H,1-7H2
InChIKey: LWEOFVINMVZGAS-UHFFFAOYSA-N
SMILES: OCCCN1CCNCC1

화학적 성질

White powder or crystal

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (11.6%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (11.6%)

안전 데이터

wgk: 2
HS 번호: 29335990
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Reactant for preparation of biologically active molecules:Preparation of chloropyridazine piperazines as human rhinovirus (HRV-3) inhibitorsSynthesis of arylbenzoylpyrrolidine derivatives and their Hsp90 inhibitory activitySynthesis of pyrrolothienopyrazines as novel serotonin-4 receptors antagonistsPreparation of carbamate-functionalized 2,6-disubstituted N-(arylsulfonyl) piperidines as conformationally restricted and orally active γ-secretase inhibitors