HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 95489Erstellt: 26. Oktober 2026
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
L-TIC · (S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID · (S)-(-)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID · H-Tic-OH · H-L-TIC-OH · RARECHEM BK PT 0082 · 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID · 1,2,3,4-L-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
https://huagongshe.com/de/chemical/95489
Identifikatoren & physikalische Daten
| CAS No. | 35186-99-3 |
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| Summenformel | C10H11NO2 |
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| Durchschnittliche Molmasse | 177,2 g/mol |
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| Monoisotopische Masse | 177,07897859 g/mol |
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| SMILES | O=C(O)C1Cc2ccccc2CN1 |
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| InChIKey | BWKMGYQJPOAASG-UHFFFAOYSA-N |
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| PubChem CID | 95489 |
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| ChEMBL | CHEMBL11912 |
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| EC No. | 266-580-4 |
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| DTXSID | DTXSID80868286 |
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Chemische & physikalische Eigenschaften
| XLogP | -1,3 |
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| Polarare Oberfläche (TPSA) | 49,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 205 |
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| Schmelzpunkt | >300 °C(lit.) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | Hot Water, Basic Water |
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| Aggregatzustand | Solid |
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| Farbe | Off-White |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]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)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. |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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