2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-amine

HCID 40742CAS 53356-51-7

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Grundinformationen

Standard-SMILES: NCCN1CCc2ccccc2C1
InChIKey: JTEJMGHPAYJBTA-UHFFFAOYSA-N
Summenformel: C11H16N2
Durchschnittliche Molmasse: 176,26 g/mol
Monoisotopische Masse: 176,13134851

Namen und Bezeichner

Bevorzugter Name: 2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-amine
IUPAC: 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
Englischer Name: 2-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)ETHANAMINE
Summenformel: C11H16N2
Molmasse: 176.26

Namen und Synonyme

2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-amineRefChem:450246837-778-32-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine53356-51-72-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamineMFCD017173142(1H)-ISOQUINOLINEETHYLAMINE, 3,4-DIHYDRO-2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethan-1-amine2(1H)-Isoquinolineethanamine, 3,4-dihydro-BRN 13707703,4-Dihydro-2(1H)-isoquinolineethylamine

Weitere Namen anzeigen

2-(3,4-Dihydroisoquinolin-2(1H)3,4-Dihydro-2(1H)-isoquinolineethanamine2(1H)-IsoquinolineethanaMine,3,4-dihydro-2-(3,4-Dihydro-1H-isoquinolin-2-yl)ethylamine2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethylamine2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine(SALTDATA: 2HCl)

2-(1,2,3,4-Tetrahydro-2-isoquinoline)ethylamineNSC1599575-20-06-00335 (Beilstein Handbook Reference)SCHEMBL335190SCHEMBL29760081DTXSID60201516JTEJMGHPAYJBTA-UHFFFAOYSA-NALBB-005368

Datenbank-Bezeichner

CAS: 53356-51-7
PubChem CID: 40742
DTXSID: DTXSID60201516
EC Number: 837-778-3
Nikkaji: J86.392K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, 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.