Piperazin-1-ylpropanol

1-Piperazinepropano · 1-PIPERAZINEPROPANOL · piperazin-1-ylpropan-ol · 1-Piperazine-1-propanol · 1-Piperazinepropanol 97% · 1-Piperazinepropanol,98% · 3-(1-Piperazinyl)propanol · 3-PIPERAZIN-1-YLPROPAN-1-OL

https://huagongshe.com/ko/chemical/79207

식별자 및 물리적 특성

CAS No.	5317-32-8
분자식	C7H16N2O
평균 분자량	144.21 g/mol
단동위원소 질량	144.12626313 g/mol
SMILES	OCCCN1CCNCC1
InChIKey	LWEOFVINMVZGAS-UHFFFAOYSA-N
PubChem CID	79207
ChEMBL	CHEMBL4552088
EC No.	226-176-0
DTXSID	DTXSID20201234

화학 및 물리적 성질

XLogP	-0.7
극성 표면적	35.5
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
녹는점	49-53 °C (lit.)
끓는 점	94-96°C/1.8mm
밀도	0.993±0.06 g/cm3(Predicted)
인화점	>230 °F
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
pKa(산도 계수)	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	WarningH315 (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.
Hazard Classes and Categories	Skin Irrit. 2 (11.6%)
수질 위해 등급(WGK)	2
관세 코드	29335990
안전 문구(S)	22-24/25
저장 분류	11 - Combustible Solids

용도

Reactant 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