HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 10932Erstellt: 27. Oktober 2026
DL-3-Aminobuttersure
3-AMINOBUTANOIC ACID · 3-AMINOBUTYRIC ACID · DL-BABA · H-DL-ABU(3)-OH · H-DL-BETA-ABU-OH · H-DL-ABU(BETA)-OH · 3-Methyl-b-alanine · 3-AMINOBUTYLIC ACID
https://huagongshe.com/de/chemical/10932
Identifikatoren & physikalische Daten
| CAS No. | 2835-82-7 |
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| Summenformel | C4H9NO2 |
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| Durchschnittliche Molmasse | 103,12 g/mol |
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| Monoisotopische Masse | 103,06332853 g/mol |
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| SMILES | CC(N)CC(=O)O |
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| InChIKey | OQEBBZSWEGYTPG-UHFFFAOYSA-N |
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| PubChem CID | 10932 |
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| ChEMBL | CHEMBL1995111 |
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| ChEBI | CHEBI:37081 |
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| EC No. | 208-783-2 |
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| DTXSID | DTXSID4040975 |
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| Lokaler Name | DL-3-Aminobuttersure |
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Chemische & physikalische Eigenschaften
| XLogP | -3,1 |
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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 | 2 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 72,1 |
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| Löslichkeit | 1000 mg/mL at 25 °Csoluble |
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| Schmelzpunkt | 193.0 °C189 °C (dec.)(lit.) |
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| Physical Description | Solid |
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| Dichte | 1.2300 (estimate) |
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| Brechungsindex | 1.4650 (estimate) |
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| pKa (Säurekonstante) | pK2: 10.14(0) (25°C) |
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| InChI | InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7) |
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| InChIKey | OQEBBZSWEGYTPG-UHFFFAOYSA-N |
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| SMILES | C(N)(C)CC(=O)O |
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| CAS Datenbank | 2835-82-7(CAS DataBase Reference) |
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| EPA chemische Informationen | Butanoic acid, 3-amino-(2835-82-7) |
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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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Butanoic acid, 3-amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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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. | EK7713333 |
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| R-Sätze (R) | 36/37/38-20/21/22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-24/25-22-36 |
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