methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride

HCID 2760578

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 78183-55-8
Standard-SMILES: COC(=O)[C@@H]1Cc2ccccc2CN1.Cl
InChIKey: BUXCBOUGBHWQBE-PPHPATTJSA-N
Summenformel: C11H14ClNO2
Durchschnittliche Molmasse: 227,69 g/mol
Monoisotopische Masse: 227,07130637

Namen und Bezeichner

Bevorzugter Name: methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
IUPAC: methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride
Englischer Name: (S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride
Summenformel: C11H14ClNO2
Molmasse: 227.69

Namen und Synonyme

78183-55-8Methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate HydrochlorideRefChem:812301865-328-6(s)-methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochlorideMFCD05861484Methyl (S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylate Hydrochloridemethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloridemethyl 1,2,3,4-tetrahydro-isoquinoline-3(s)-carboxylate hydrochlorideL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER HCL(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride(S)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate HCl

Weitere Namen anzeigen

L-Tic-OMe.HCl(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester, HClL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE3-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-, METHYL ESTER, HYDROCHLORIDE

(s)-l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride(s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid methyl ester hydrochloridemethyl (s)-1,2,3,4-tetrahydro-3-isoquinoline carboxylate hydrochlorideSCHEMBL10749367SCHEMBL30665771BUXCBOUGBHWQBE-PPHPATTJSA-NDTXSID801380368DDA18355

Datenbank-Bezeichner

CAS: 78183-55-8
PubChem CID: 2760578
DTXSID: DTXSID801380368
EC Number: 865-328-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 217

Physikochemische Eigenschaften

Schmelzpunkt: 261 · 261-263 °C (decomp)(Solv: chloroform (67-66-3); ethyl ether (60-29-7))
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C

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)

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