HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 7046Erstellt: 26. Oktober 2026
1,2,3,4-Tetrahydroisoquinoline
Compound Fr16648 · TIMTEC-BB SBB003860 · 1,2,3,4-Tetrahydroisoquinoline HCl · 3,5-dimethyl-2-(1-pyrrolyl)pyrazine · 1,2,3,4-tetrahydro-isoquinolinhydrochloride · 1,2,3,4-Tetrahydroisoquinoline hydrochloride · Isoquinoline, 1,2,3,4-tetrahydro-, hydrochloride · 1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE 98+%
https://huagongshe.com/de/chemical/7046
Identifikatoren & physikalische Daten
| CAS No. | 14099-81-1 |
|---|
| Summenformel | C9H11N |
|---|
| Durchschnittliche Molmasse | 133,19 g/mol |
|---|
| Monoisotopische Masse | 133,08914935 g/mol |
|---|
| SMILES | c1ccc2c(c1)CCNC2 |
|---|
| InChIKey | UWYZHKAOTLEWKK-UHFFFAOYSA-N |
|---|
| PubChem CID | 7046 |
|---|
| ChEMBL | CHEMBL14346 |
|---|
| ChEBI | CHEBI:125498 |
|---|
| EC No. | 202-050-0 |
|---|
| DTXSID | DTXSID6026115 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|
| Polarare Oberfläche (TPSA) | 12 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 10 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 111 |
|---|
| Stoffklassen | Nitrogen Compounds -> Quinolines |
|---|
| SpringerMaterials Properties | Chemical shift |
|---|
| Schmelzpunkt | < -15 °C198-202 °C |
|---|
| Physical Description | Clear brown liquid with an unpleasant odor[Acros Organics MSDS] |
|---|
| Lagerbedingungen | Sealed in dry,Room Temperature |
|---|
| Löslichkeit | almost transparency |
|---|
| CAS Datenbank | 14099-81-1(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (69.5%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 154 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 21-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10824 |
|---|
| Gefahrenübersicht | Causes other degenerative changes to brain and coverings and effects on peptidases in acute intraperitoneal studies of rats[RTECS] Causes burnsToxic by ingestionHarmful by inhalationHighly toxic by skin absorptionMay cause brain damage[ECHA REACH Registrations] An irritant[Acros Organics MSDS] See 5,6,7,8-Tetrahydroquinoline. |
|---|
| Hazard Classes and Categories | Acute Tox. 3 (69.5%) |
|---|
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
|---|
| Zollcode | 29334990 |
|---|
| RTECS-Nr. | NX5075000 |
|---|
| R-Sätze (R) | 36/37/38-20/21/22 |
|---|
| Toxizität | mouse,LD50,intraperitoneal,303mg/kg (303mg/kg),Journal of Medicinal Chemistry. Vol. 18, Pg. 1194, 1975. |
|---|
| Gefahrensymbole | Xn,Xi |
|---|
| Sicherheitshinweise (S) | 36/37/39-26-37/39 |
|---|
