4-Methoxypiperidin

4-Methoxypiperidine

HCID 77666CAS 4045-24-3

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COC1CCNCC1
InChIKey: ZEYSHALLPAKUHG-UHFFFAOYSA-N
Summenformel: C6H13NO
Durchschnittliche Molmasse: 115,17 g/mol
Monoisotopische Masse: 115,09971404

Namen und Bezeichner

Bevorzugter Name: 4-Methoxypiperidine
IUPAC: 4-methoxypiperidine
Lokaler Name: 4-Methoxypiperidin
Englischer Name: 4-Methoxypiperidine
Summenformel: C6H13NO
Molmasse: 115.17

Namen und Synonyme

4-Methoxypiperidine4045-24-3Piperidine, 4-methoxy-TQT8YK55HTEINECS 223-742-9DTXSID80193464RefChem:99671DTXCID90115955223-742-94-Methoxy-piperidineMFCD04115010F2158-0858

Weitere Namen anzeigen

4-methoxy-1l2-piperidineEOS-624534-MethoxyPiperazine4-Methoxypiperidine, 97+%4-METHOXY-PIPERIDINE >98%4-METHOXYPHENYLPHOSPHONICACID4-methoxypiperidine(SALTDATA: HCl)

4-methoxypiperdine4-methoxy piperidine4-methoxyl piperidineUNII-TQT8YK55HTSCHEMBL8268SCHEMBL128259SCHEMBL1263684SCHEMBL1297474

Datenbank-Bezeichner

CAS: 4045-24-3
PubChem CID: 77666
DTXSID: DTXSID80193464
UNII: TQT8YK55HT
EC Number: 223-742-9
Nikkaji: J217.858C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 21,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 59

Physikochemische Eigenschaften

Siedepunkt: 44 °C/6.8mm · 44°C/6.8mm
Dichte: 0.93 · 0.93
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: Liquid
pka: 9.83 · 9.83±0.10(Predicted)
Farbe: Clear
InChI: InChI=1S/C6H13NO/c1-8-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
InChIKey: ZEYSHALLPAKUHG-UHFFFAOYSA-N
SMILES: N1CCC(OC)CC1
CAS Datenbank: 4045 · 4045-24-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory.；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.