1-(2-Hydroxyethyl)-4-methylpiperazine

HCID 231184CAS 5464-12-0

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Grundinformationen

Standard-SMILES: CN1CCN(CCO)CC1
InChIKey: QHTUMQYGZQYEOZ-UHFFFAOYSA-N
Summenformel: C7H16N2O
Durchschnittliche Molmasse: 144,21 g/mol
Monoisotopische Masse: 144,12626313

Namen und Bezeichner

Bevorzugter Name: 1-(2-Hydroxyethyl)-4-methylpiperazine
IUPAC: 2-(4-methylpiperazin-1-yl)ethanol
Englischer Name: 1-(2-Hydroxyethyl)-4-methylpiperazine
Summenformel: C7H16N2O
Molmasse: 144.21

Namen und Synonyme

1-(2-Hydroxyethyl)-4-methylpiperazineDTXSID10282618RefChem:422252DTXCID00233770673-560-25464-12-02-(4-methylpiperazin-1-yl)ethanol1-piperazineethanol, 4-methyl-MFCD038406912-(4-methylpiperazin-1-yl)ethan-1-ol2-(4-Methyl-1-piperazinyl)ethanol4-Methylpiperazine-1-ethanol

Weitere Namen anzeigen

4-Methyl-1-piperazineethanol1-[N-Methylpiperazine]ethanol2-(4-methylpiperazinyl)ethanol4-Methylpiperazine-1-ethanol>2-(4-Methyl-1-piperazinyl)ethanol1-hydroxyethyl-4-methylpiperazine

2-(4-methyl-piperazin-1-yl)-ethanolSCHEMBL87532-(4-methyl-1-piperazinyl) ethanol2-(4-methyl-piperazin-1yl)-ethanolN-(2-Hydroxyethyl)-N'-methylpiperazine1-piperazineethanol, 4-methyl-, dihydrochloride2-(4-methylpiperazinyl)ethan-1-ol1-(2-Hydroxyethyl)-4-methyl-piperazine

Datenbank-Bezeichner

CAS: 5464-12-0
PubChem CID: 231184
DTXSID: DTXSID10282618
EC Number: 673-560-2
Nikkaji: J43.145A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,6
Polarare Oberfläche (TPSA): 26,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 89,6

Physikochemische Eigenschaften

Schmelzpunkt: 39 · 39-41°C
Siedepunkt: 54 · 54-55°C/0.5mbar
Dichte: 1.003 · 1.003±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
pka: 14.96 · 14.96±0.10(Predicted)
Aggregatzustand: Low Melting Solid
Farbe: Slightly yellow
InChI: InChI=1S/C7H16N2O/c1-8-2-4-9(5-3-8)6-7-10/h10H,2-7H2,1H3
InChIKey: QHTUMQYGZQYEOZ-UHFFFAOYSA-N
SMILES: N1(CCO)CCN(C)CC1
CAS Datenbank: 5464 · 5464-12-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.