HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3452Erstellt: 3. November 2026
4-Amino-5-hexynoic acid
RMI-71645 · γ-Acetylenic GABA · 4-amino-5-hexynoicaci · GAMMA-ACETYLENIC GABA · 4-AMINO-5-HEXYNOIC ACID · 5-Hexynoic acid, 4-amino- · gamma-Acetylenic GABA, GABA transaminase inhibitor
https://huagongshe.com/de/chemical/3452
Identifikatoren & physikalische Daten
| CAS No. | 57659-38-8 |
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| Summenformel | C6H9NO2 |
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| Durchschnittliche Molmasse | 127,14 g/mol |
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| Monoisotopische Masse | 127,06332853 g/mol |
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| SMILES | C#CC(N)CCC(=O)O |
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| InChIKey | BJNIHWSOVCDBHS-UHFFFAOYSA-N |
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| PubChem CID | 3452 |
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| ChEMBL | CHEMBL330129 |
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| EC No. | 637-345-7 |
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| DTXSID | DTXSID40973249 |
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Chemische & physikalische Eigenschaften
| XLogP | -3 |
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| Polarare Oberfläche (TPSA) | 63,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 144 |
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| Siedepunkt | 291.1±30.0 °C(Predicted) |
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| Dichte | 1.155±0.06 g/cm3(Predicted) |
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| Löslichkeit | H2O: 5 mg/mL |
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| pKa (Säurekonstante) | 4.24±0.10(Predicted) |
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| Aggregatzustand | solid |
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| Farbe | white |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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)Aggregated GHS information provided per 66 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 | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| RTECS-Nr. | MR0180450 |
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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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