Methyl 1,2,3,4-tetrahydroquinoline-7-carboxylate

HCID 16244389CAS 597562-79-3

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Grundinformationen

Standard-SMILES: COC(=O)c1ccc2c(c1)NCCC2
InChIKey: BDMQUHKEECRIDC-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-7-carboxylate
IUPAC: methyl 1,2,3,4-tetrahydroquinoline-7-carboxylate
Englischer Name: 1,2,3,4-Tetrahydro-quinoline-7-carboxylic acid methyl ester hydrochloride
Summenformel: C11H13NO2
Molmasse: 191.23

Namen und Synonyme

methyl 1,2,3,4-tetrahydroquinoline-7-carboxylate597562-79-3RefChem:812472827-662-01,2,3,4-TETRAHYDRO-QUINOLINE-7-CARBOXYLIC ACID METHYL ESTERMFCD085442721,2,3,4-TETRAHYDRO-QUINOLINE-7-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDESCHEMBL554225SCHEMBL30955089BDMQUHKEECRIDC-UHFFFAOYSA-NSB37861BS-29126

Weitere Namen anzeigen

1,2,3,4-Tetrahydro-quinoline-7-carboxylicacidmetMethyl 1,2,3,4-tetrahydro-7-quinolinecarboxylate7-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl esterMethyl 1,2,3,4-tetrahydroquinoline-7-carboxylate hydrochloride

SY283246CS-0107313Methyl 1234-tetrahydroquinoline-7-carboxylateD76727EN300-374211methyl1,2,3,4-tetrahydroquinoline-7-carboxylateF612343Methyl 1,2,3,4-tetrahydro-quinoline-7-carboxylate

Datenbank-Bezeichner

CAS: 597562-79-3
PubChem CID: 16244389
EC Number: 827-662-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
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, protect from light

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.