Piperazin-1-ylpropanol

HCID 79207CAS 5317-32-8

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Grundinformationen

Standard-SMILES: OCCCN1CCNCC1
InChIKey: LWEOFVINMVZGAS-UHFFFAOYSA-N
Summenformel: C7H16N2O
Durchschnittliche Molmasse: 144,21 g/mol
Monoisotopische Masse: 144,12626313

Namen und Bezeichner

Bevorzugter Name: Piperazin-1-ylpropanol
IUPAC: 3-piperazin-1-ylpropan-1-ol
Lokaler Name: Piperazin-1-ylpropanol
Englischer Name: 1-Piperazinepropanol
Summenformel: C7H16N2O
Molmasse: 144.21

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 10
Formalladung: 0
Komplexität: 81,7

Physikochemische Eigenschaften

Schmelzpunkt: 49 · 49-53 °C (lit.)
Siedepunkt: 94 · 94-96°C/1.8mm
Dichte: 0.993 · 0.993±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 15.1 · 15.10±0.10(Predicted)
Aggregatzustand: solid
Farbe: 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
CAS Datenbank: 5317 · 5317-32-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (11.6%)

Sicherheitsdaten

wgk: 2
hs_code: 29335990
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant 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