Piperidin-2-ylmethanol

HCID 94263CAS 3433-37-2

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Grundinformationen

Standard-SMILES: OCC1CCCCN1
InChIKey: PRAYXGYYVXRDDW-UHFFFAOYSA-N
Summenformel: C6H13NO
Durchschnittliche Molmasse: 115,17 g/mol
Monoisotopische Masse: 115,09971404

Namen und Bezeichner

Bevorzugter Name: Piperidin-2-ylmethanol
IUPAC: piperidin-2-ylmethanol
Lokaler Name: Piperidin-2-ylmethanol
Englischer Name: 2-(Hydroxymethyl)piperidine
Summenformel: C6H13NO
Molmasse: 115.17

Namen und Synonyme

2-Piperidinemethanol3433-37-2Piperidin-2-ylmethanol2-HydroxymethylpiperidineEINECS 222-333-2PRAYXGYYVXRDDW-UHFFFAOYSA-2PiperidinylmethanolPiperidin2ylmethanol2hydroxymethylpiperidineRefChem:863481222-333-2InChI=1/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2

Weitere Namen anzeigen

2-Piperidine2-piperidinomethanol2-(Hydroxymethyl)pip2-Piperidinecarbinol(2-Piperidyl)methanolPiperidine-2-methanol2- piperidinyl alcohol

2-(Hydroxymethyl)piperidine2-PiperidinylmethanolPiperidin-2-Yl-Methanol(piperidin-2-yl)methanolMFCD00005987(rs)-2-piperidinemethanolDTXSID70871027STK067797

Datenbank-Bezeichner

CAS: 3433-37-2
PubChem CID: 94263
DTXSID: DTXSID70871027
EC Number: 222-333-2
Nikkaji: J5.197G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 65,5

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other

Physical DescriptionSolid; [Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 68 · 68-70 °C (lit.)
Siedepunkt: 100 · 100-102°C (6 mmHg)
Dichte: 0.9837 · 0.9837 (rough estimate)
Brechungsindex: 1.4775 · 1.4775 (estimate)
Flammpunkt: 68 · 68-70°C(lit.)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: Solid
pka: 15.08 · 15.08±0.10(Predicted)
Farbe: White to pale yellow
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2
InChIKey: PRAYXGYYVXRDDW-UHFFFAOYSA-N
SMILES: N1CCCCC1CO
CAS Datenbank: 3433 · 3433-37-2(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Piperidinemethanol(3433-37-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (92.7%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Piperidinemethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (92.7%)

Sicherheitsdaten

wgk: 3
ridadr: 3263
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden2-Piperidinemethanol was used in the synthesis of 3-phenyloctahydropyrido[2,1-c][1,4]oxazine hydrochloride and the 10R and 10S diastereomers.