HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,4-Diaminobuttersure
RARECHEM AK ZA 0003 · 2,4-diaminobutyricaci · 2,4-diaminobutanoicacid · 2,4-diamino-butanoicaci · α,γ-Diaminobutyric acid · 2,4-Diamino-butyric acid · Butanoic acid, 2,4-diamino- · R,S-2,4-DIAMINOBUTYRIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 305-62-4 |
|---|---|
| Summenformel | C4H10N2O2 |
| Durchschnittliche Molmasse | 118,13 g/mol |
| Monoisotopische Masse | 118,07422756 g/mol |
| SMILES | NCCC(N)C(=O)O |
| InChIKey | OGNSCSPNOLGXSM-UHFFFAOYSA-N |
| PubChem CID | 470 |
| ChEMBL | CHEMBL307931 |
| ChEBI | CHEBI:64307 |
| EC No. | 206-166-2 |
| DTXSID | DTXSID80862749 |
| Lokaler Name | 2,4-Diaminobuttersure |
Chemische & physikalische Eigenschaften
| XLogP | -4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 89,3 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 84,1 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110] |
| LogP (Verteilungskoeffizient) | -4.64 |
| Physical Description | Solid |
| Schmelzpunkt | 144 °C |
| Siedepunkt | 220.67°C (rough estimate) |
| Dichte | 1.2188 (rough estimate) |
| Brechungsindex | 1.4386 (estimate) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 1.85, 8.24, 10.44(at 25℃) |
| InChI | 1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8) |
| InChIKey | OGNSCSPNOLGXSM-UHFFFAOYSA-N |
| SMILES | NC(C(O)=O)CCN |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Sens. 1 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
2,4-Diaminobutanoic Acid is a useful starting material.