(2S)-1-Methyl-2-pyrrolidinemethanol

HCID 643492CAS 34381-71-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CN1CCC[C@H]1CO
InChIKey: VCOJPHPOVDIRJK-LURJTMIESA-N
Summenformel: C6H13NO
Durchschnittliche Molmasse: 115,17 g/mol
Monoisotopische Masse: 115,09971404

Namen und Bezeichner

Bevorzugter Name: (2S)-1-Methyl-2-pyrrolidinemethanol
IUPAC: [(2S)-1-methylpyrrolidin-2-yl]methanol

Namen und Synonyme

2-Pyrrolidinemethanol, 1-methyl-, (2S)-(2S)-1-Methyl-2-pyrrolidinemethanolDTXSID901295001RefChem:397851DTXCID201725534N-Methyl-L-prolinol34381-71-0(S)-(-)-1-Methyl-2-pyrrolidinemethanol[(2S)-1-methylpyrrolidin-2-yl]methanol(S)-(1-methylpyrrolidin-2-yl)methanolN-methylprolinolMFCD00011727

Weitere Namen anzeigen

(S)-N-methylpyrrolidine-2-methanol(S)-2-Hydroxymethyl-1-methylpyrrolidine(S)-(-)-2-Hydroxymethyl-1-methylpyrrolidine(1-Methyl-2-pyrrolidinyl)methanol #N-methyl prolinol[(2S)-1-methyl-2-pyrrolidinyl]methanolSCHEMBL84792orb2940037

Datenbank-Bezeichner

CAS: 34381-71-0
PubChem CID: 643492
DTXSID: DTXSID901295001
EC Number: 251-981-9
Nikkaji: J250.870B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 74

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 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.

Gefahrenhinweise

Regulatory Information2-Pyrrolidinemethanol, 1-methyl-, (2S)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

Regulatorische Informationen

Regulatory Information2-Pyrrolidinemethanol, 1-methyl-, (2S)-: Does not have an individual approval but may be used under an appropriate group standard