Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate

HCID 2736972CAS 40971-35-5

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Grundinformationen

Standard-SMILES: COC(=O)C1CCc2ccccc2N1
InChIKey: ACEPYLDNGYGKDY-UHFFFAOYSA-N
Summenformel: C11H13NO2
Durchschnittliche Molmasse: 191,23 g/mol
Monoisotopische Masse: 191,09462866

Namen und Bezeichner

Bevorzugter Name: Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate
IUPAC: methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate
Englischer Name: 1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER
Summenformel: C11H13NO2
Molmasse: 191.23

Namen und Synonyme

methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate40971-35-5DTXSID50961359RefChem:812470DTXCID70835083672-554-71,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester63430-79-5MFCD026840121,2,3,4-Tetrahydro-quinoline-2-carboxylicacidmethylester1,2,3,4-Tetrahydro-quinoline-2-carboxylic acidmethyl ester1,2,3,4-Tetrahydroquinoline-2-carboxylic acid methyl ester

Weitere Namen anzeigen

2-Methoxycarbonyl-1,2,3,4-tetrahydroquinolineMethyl 1,2,3,4-tetrahydro-2-quinolinecarboxylate(+/-)-Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate1,2,3,4-tetrahydro-2-Quinolinecarboxylic acid methyl ester

Maybridge3_007633Oprea1_817885SCHEMBL926907SCHEMBL9142800ACEPYLDNGYGKDY-UHFFFAOYSA-N2-methoxycarbonyltetrahydroquinolineSBB039017STK711199

Datenbank-Bezeichner

CAS: 40971-35-5
PubChem CID: 2736972
DTXSID: DTXSID50961359
EC Number: 672-554-7
Nikkaji: J1.759.686A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 217

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.