Grundinformationen
- Standard-SMILES
OCC1CCNCC1- InChIKey
XBXHCBLBYQEYTI-UHFFFAOYSA-N- Summenformel
- C6H13NO
- Durchschnittliche Molmasse
- 115,17 g/mol
- Monoisotopische Masse
- 115,09971404
Namen und Bezeichner
- Bevorzugter Name
- 4-Piperidinemethanol
- IUPAC
- piperidin-4-ylmethanol
- Englischer Name
- 4-Piperidinemethanol
- Summenformel
- C6H13NO
- Molmasse
- 115.17
Namen und Synonyme
4-Piperidinemethanol6457-49-4piperidin-4-ylmethanolDTXSID00329521RefChem:100400DTXCID80280621613-624-94-(Hydroxymethyl)piperidine4-Piperidylmethanol(Piperidin-4-yl)methanol4-HydroxymethylpiperidinePiperidin-4-yl-methanol
Weitere Namen anzeigen
PiperidineMethanolpiperidin-4-ylmethanol hydrochloride55-59℃BUTTPARK 27\08-744-piperdinemethanol4-Piperidinecarbinol
MFCD00174228F9995-0048PIPERIDINE-4-METHANOL(4-Piperidinyl)methanol; (4-Piperidyl)methanol; 4-(Hydroxymethyl)piperidine; 4-Piperidine-1-methanol;4-piperidyl carbinolpiperidin-4-methanol4-piperidinylmethanol4-piperadine methanol
Datenbank-Bezeichner
- CAS
6457-49-4- PubChem CID
- 420771
- DTXSID
DTXSID00329521- EC Number
- 613-624-9
- Nikkaji
- J289.243J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 32,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 59,5
Physikochemische Eigenschaften
- Schmelzpunkt
- 55 · 55-59 °C(lit.)
- Siedepunkt
- 118 · 118-120 °C10 mm Hg(lit.)
- Dichte
- 0 · 0,997 g/cm3
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Wasserlöslichkeit
- Soluble in water
- Aggregatzustand
- Crystalline Powder, Chunks and/or Solid
- pka
- 14.94 · 14.94±0.10(Predicted)
- Farbe
- White to off-white
- BRN
- 103071 · 103071
- InChI
- InChI=1S/C6H13NO/c8-5-6-1-3-7-4-2-6/h6-8H,1-5H2
- InChIKey
- XBXHCBLBYQEYTI-UHFFFAOYSA-N
- SMILES
- N1CCC(CO)CC1
- CAS Datenbank
- 6457 · 6457-49-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 51 reports by companies from 4 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3263 8/PG 2
- hs_code
- 29333990
- risk_code
- 34-22
- hazard_code
- C,Xi
- hazard_note
- Irritant/Hygroscopic
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1B
Chemie und Industrie
Anwendungen
Verwenden4-Piperidinemethanol may be used in the preparation of:N-tert-butoxycarbonyl-4-hydroxymethyl piperidinedesferrioxamine B (DFO) containing third generation triazine dendrimerethyl 3-(4-(hydroxymethyl)piperidin-1-yl)propanoate (EHMPP)4-(hydroxymethyl)piperidine-1-carbodithioic acid (HL)1-[[(1E)-2-(4-chlorophenyl)ethenyl]sulfonyl]-4-piperidinemethanol
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