2-(1-Methyl-2-pyrrolidin)ethanol

1-Methyl-2-pyrrolidineethanol

HCID 93363CAS 67004-64-2

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Grundinformationen

Standard-SMILES: CN1CCCC1CCO
InChIKey: FYVMBPXFPFAECB-UHFFFAOYSA-N
Summenformel: C7H15NO
Durchschnittliche Molmasse: 129,2 g/mol
Monoisotopische Masse: 129,1153641

Namen und Bezeichner

Bevorzugter Name: 1-Methyl-2-pyrrolidineethanol
IUPAC: 2-(1-methylpyrrolidin-2-yl)ethanol
Lokaler Name: 2-(1-Methyl-2-pyrrolidin)ethanol
Englischer Name: 1-Methyl-2-pyrrolidineethanol
Summenformel: C7H15NO
Molmasse: 129.2

Namen und Synonyme

1-Methyl-2-pyrrolidineethanol67004-64-22-Pyrrolidineethanol, 1-methyl-UNII-46PY6SCZ39EINECS 266-538-546PY6SCZ392-(n-methylpyrrolidin-2-yl)ethanol2-(2-Hydroxyethyl)-N-methylpyrrolidineN-methyl-2-(2-hydroxyethyl)pyrrolidineRefChem:762481-METHYL-2-PYRROLIDINEETHANOL, (+-)-266-538-5

Weitere Namen anzeigen

2-(2-HYDROXYETHYL)-N-METHYL-PYRROLIDINEClemastine Impurity DClemastine EP Impurity DHYDROXYETHYLMETHYLPYRROLIDINE1-Methylpyrrolidine-2-EthanolN-METHYL-2-PYRROLIDINEETHANOL

FYVMBPXFPFAECB-UHFFFAOYSA-N2-(1-methylpyrrolidin-2-yl)ethanol1-Methyl-2-pyrrolidine ethanol2-(2-Hydroxyethyl)-1-methylpyrrolidineClemastine Impurity 42-(1-methylpyrrolidin-2-yl)ethan-1-olMFCD000031742-(1-Methyl-2-pyrrolidine)ethanol

Datenbank-Bezeichner

CAS: 67004-64-2
PubChem CID: 93363
DTXSID: DTXSID40985827
UNII: 46PY6SCZ39
EC Number: 266-538-5
Nikkaji: J149.938F、J25.984E、J25.985C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 85

Physikochemische Eigenschaften

Siedepunkt: 110 · 110-112 °C14 mm Hg(lit.)
Dichte: 0.951 g/mL · 0.951 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4713(lit.)
Flammpunkt: 184 °F · 184 °F
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: clear liquid
pka: 15.03 · 15.03±0.10(Predicted)
Farbe: Colorless to Red to Green
InChI: InChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3
InChIKey: FYVMBPXFPFAECB-UHFFFAOYSA-N
SMILES: N1(C)CCCC1CCO
CAS Datenbank: 67004 · 67004-64-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.