Piperidin-3-ylmethanol (HCID 107308)

Namen und Bezeichner

Bevorzugter Name: Piperidin-3-ylmethanol
IUPAC: piperidin-3-ylmethanol
Lokaler Name: Piperidin-3-ylmethanol
Englischer Name: 3-Piperidinemethanol
Summenformel: C6H13NO
Molmasse: 115.17

Namen und Synonyme

3-Piperidinemethanol4606-65-9Piperidin-3-ylmethanolEINECS 225-013-0VUNPWIPIOOMCPT-UHFFFAOYSA-DTXSID60871091RefChem:863486DTXCID00818763225-013-0InChI=1/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H23-(Hydroxymethyl)piperidine3-Hydroxymethylpiperidine

Weitere Namen anzeigen

1-ethoxycarbonylRARECHEM AM LA 00733-piperidine Methano3-Piperidinecarbinol3-Piperidinyl carbinol3- piperidinyl alcohol(3-PIPERIDINYL)METHANOL

Piperidin-3-Yl-Methanol(piperidin-3-yl)methanol3-piperidylmethanolpiperidine-3-methanol3-Piperidine MethanolMFCD000059973-Piperidinylmethanol3-piperdinemethanol

Datenbank-Bezeichner

CAS: 4606-65-9
PubChem CID: 107308
DTXSID: DTXSID60871091
EC Number: 225-013-0
Nikkaji: J236.355K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
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

Physikochemische Eigenschaften

Schmelzpunkt: 106 · 106-107°C
Siedepunkt: 106 · 106-107 °C3.5 mm Hg(lit.)
Dichte: 1.026 g/mL · 1.026 g/mL at 25 °C(lit.)
Brechungsindex: 1.494 · 1.4940
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly)
Aggregatzustand: Liquid
pka: 14.93 · 14.93±0.10(Predicted)
Farbe: Clear
BRN: 103058 · 103058
InChI: InChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2
InChIKey: VUNPWIPIOOMCPT-UHFFFAOYSA-N
SMILES: N1CCCC(CO)C1
CAS Datenbank: 4606 · 4606-65-9(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3-Piperidinemethanol(4606-65-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information3-Piperidinemethanol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 2
ridadr: UN 3263 8/PG 2
hs_code: 29333990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Piperidinemethanol can be used as reactants for synthesis of: CB2 receptor agonists for the treatment of chronic pain Spiroimidazolidinone NPC1L1 inhibitors Quorum sensing modulators Protein lysine methyltransferase G9a inhibitors P2Y12 antagonists for inhibition of platelet aggregation Soluble epoxide hydrolase inhibitors