CAS 1028330-54-2 Methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate (HCID 45074001)

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Grundinformationen

CAS: 1028330-54-2
Standard-SMILES: COC(=O)c1cccc2c1CNCC2
InChIKey: SPBFKXXXLXRQOM-UHFFFAOYSA-N
Summenformel: C11H13NO2
Durchschnittliche Molmasse: 191,23 g/mol
Monoisotopische Masse: 191,09462866

Namen und Bezeichner

Bevorzugter Name: Methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
IUPAC: methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
Englischer Name: Methyl 1,2,3,4-tetrahydroisoquinolin-8-carboxylate
Summenformel: C11H13NO2
Molmasse: 191.23

Namen und Synonyme

1028330-54-2METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-8-CARBOXYLATEDTXSID90662873RefChem:353194DTXCID30613622865-117-91,2,3,4-TETRAHYDRO-ISOQUINOLINE-8-CARBOXYLIC ACID METHYL ESTERMFCD10001502SCHEMBL567532SCHEMBL3946164SCHEMBL29801456METHYL1,2,3,4-TETRAHYDROISOQUINOLINE-8-CARBOXYLATE

Weitere Namen anzeigen

1,2,3,4-Tetrahydro-8-isoquinolinecarboxylic acid methyl estermethyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate(WX142449)8-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-,methyl ester

SPBFKXXXLXRQOM-UHFFFAOYSA-NAKOS006302175PB34513EN300-255902Methyl 1,2,3,4-tetrahydro-isoquinoline-8-carboxylateMETHYL 1,2,3,4-TETRAHYDROISOQUINOLIN-8-CARBOXYLATE1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid methyl ester

Datenbank-Bezeichner

CAS: 1028330-54-2
PubChem CID: 45074001

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.