4-(Methylamino)tetrahydro-2H-pyran

HCID 6991950CAS 220641-87-2

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Grundinformationen

Standard-SMILES: CNC1CCOCC1
InChIKey: WGYZZCUTSHNMET-UHFFFAOYSA-N
Summenformel: C6H13NO
Durchschnittliche Molmasse: 115,17 g/mol
Monoisotopische Masse: 115,09971404

Namen und Bezeichner

Bevorzugter Name: 4-(Methylamino)tetrahydro-2H-pyran
IUPAC: N-methyloxan-4-amine
Englischer Name: Methyl-(Tetrahydro-Pyran-4-Yl)-Amine Hcl
Summenformel: C6H13NO
Molmasse: 115.17

Namen und Synonyme

4-(methylamino)tetrahydro-2h-pyranRefChem:516343640-901-1220641-87-2N-methyltetrahydro-2H-pyran-4-amineN-methyloxan-4-amineMethyl-(tetrahydro-pyran-4-yl)-aminen-methyl-n-tetrahydro-2h-pyran-4-ylamineMFCD066584924-(METHYLAMINO)TETRAHYDROPYRANn-methyl-tetrahydro-2h-pyran-4-amine2H-PYRAN-4-AMINE, TETRAHYDRO-N-METHYL-

Weitere Namen anzeigen

CHEMBRDG-BB 4003545N-Methyloxan-4-amine, 98%2H-Pyran-4-amine,tetrahydro-N-methyl-N-Methyltetrahydro-2H-pyran-4-ylamine

N-Methyl-N-tetrahydro-2H-pyran-4ylamineSY013416EN300-43332TETRAHYDRO-N-METHYL-2H-PYRAN-4-AMINEN-methyltetrahydropyran-4-amineBB 0255126FT-0648490SCHEMBL21532

Datenbank-Bezeichner

CAS: 220641-87-2
PubChem CID: 6991950
DTXSID: DTXSID70426293
ChEMBL: CHEMBL4521491
EC Number: 640-901-1
Nikkaji: J3.086.993A

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: 59,5

Physikochemische Eigenschaften

Siedepunkt: 165 · 165.0±33.0 °C(Predicted)
Dichte: 0.93 · 0.93±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 10.01 · 10.01±0.20(Predicted)
Aggregatzustand: liquid
Farbe: Clear, colourless

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (16.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.