Prolinol

HCID 90908CAS 23356-96-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: OCC1CCCN1
InChIKey: HVVNJUAVDAZWCB-UHFFFAOYSA-N
Summenformel: C5H11NO
Durchschnittliche Molmasse: 101,15 g/mol
Monoisotopische Masse: 101,08406397

Überblick

Prolinol is an amino alcohol formed by reduction of the amino acid proline.

Namen und Bezeichner

Bevorzugter Name: Prolinol
IUPAC: pyrrolidin-2-ylmethanol
Englischer Name: 2-(Hydroxymethyl)pyrrolidine
Summenformel: C5H11NO
Molmasse: 101.15

Namen und Synonyme

pyrrolidin-2-ylmethanol498-63-5Prolinol2-hydroxymethylpyrrolidineCHEBI:59652RefChem:8685902-(Hydroxymethyl)pyrrolidine2-PyrrolidinemethanolDL-ProlinolPyrrolidin-2-yl-methanol(pyrrolidin-2-yl)methanolL(+)-Prolinol

Weitere Namen anzeigen

Pyrrolidine, 2-(hydroxymethyl)-NSC 367102DL-Prolinol>Pyrrolidine-2-methanolpyrrolidin-2-ylmethanol(SALTDATA: FREE)

rac-Prolinolpyrrolidine-2-methanolD(-)ProlinolMFCD0060107310200-26-7KFG8AY86W5NSC-3671022-Pyrrolidinylmethanol

Datenbank-Bezeichner

CAS: 23356-96-9、498-63-5
PubChem CID: 90908
DTXSID: DTXSID30897460
ChEBI: CHEBI:59652
UNII: KFG8AY86W5
EC Number: 678-464-4
Nikkaji: J1.563F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 56

Physikochemische Eigenschaften

Siedepunkt: 98 °C · 98 °C / 14mmHg
Dichte: 1.04 · 1.04
Brechungsindex: 1.484 · 1.4840
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in ethanol.
pka: 14.77 · 14.77±0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Light orange to Yellow
InChI: 1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2
InChIKey: HVVNJUAVDAZWCB-UHFFFAOYSA-N
SMILES: OCC1CCCN1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (20%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 4 (20%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933998090
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-(Hydroxymethyl)pyrrolidine is an intermediate in the synthesis of Physostigmine and Physostigmine derivative used for treatment of Alzheimer's disease.