Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate

HCID 566021

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Grundinformationen

CAS: 40175-06-2
Standard-SMILES: CCOC(=O)C1=CCN(C)CC1
InChIKey: GKMQAGZRPQBLHG-UHFFFAOYSA-N
Summenformel: C9H15NO2
Durchschnittliche Molmasse: 169,22 g/mol
Monoisotopische Masse: 169,11027872

Namen und Bezeichner

Bevorzugter Name: Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate
IUPAC: ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
Englischer Name: ETHYL 1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRI DINECARBOXYLATE, TECH., 85
Summenformel: C9H15NO2
Molmasse: 169.22

Namen und Synonyme

Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylateRefChem:593335620-614-840175-06-2ethyl 1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylateethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylateCHEMBL123347SCHEMBL1971079GKMQAGZRPQBLHG-UHFFFAOYSA-DTXSID90340604YQF45354-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-1-methyl-, ethyl ester

Weitere Namen anzeigen

ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarbo1-Methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid ethyl esterETHYL 1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRI DINECARBOXYLATE, TECH., 85%

MFCD00009779AKOS000120134ETHYL 1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRI DINECARBOXYLATE, TECH., 85SY363488G88402ethyl 1-methyl-1,2,3,6tetrahydro-4-pyridinecarboxylateEthyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate, technical grade, 85%InChI=1/C9H15NO2/c1-3-12-9(11)8-4-6-10(2)7-5-8/h4H,3,5-7H2,1-2H3

Datenbank-Bezeichner

CAS: 40175-06-2
PubChem CID: 566021
DTXSID: DTXSID90340604
ChEMBL: CHEMBL123347
EC Number: 620-614-8
Nikkaji: J236.415H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 199

Physikochemische Eigenschaften

Siedepunkt: 108 · 108-109.5 °C/15 mmHg(lit.)
Dichte: 1.025 g/mL · 1.025 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.478(lit.)
Flammpunkt: 101 °C · 101 °C
storage temp.: 2 · 2-8°C
pka: 8.09 · 8.09±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.