4-Amino-1-butanol
4-aminobutan-1-ol · 4-AMINOBUTANOL · BUTANOLAMINE · 4-hydroxybutan-1-aminium · SKL271 · N-ABU(4)-OL · H-ABUT(4)-OL · NH2-(CH2)4-OH
Identifikatoren & physikalische Daten
| CAS No. | 13325-10-5 |
|---|---|
| Summenformel | C4H11NO |
| Durchschnittliche Molmasse | 89,14 g/mol |
| Monoisotopische Masse | 89,08406397 g/mol |
| SMILES | NCCCCO |
| InChIKey | BLFRQYKZFKYQLO-UHFFFAOYSA-N |
| PubChem CID | 25868 |
| EC No. | 236-364-4 |
| DTXSID | DTXSID70158027 |
| Lokaler Name | 4-Amino-1-butanol |
Chemische & physikalische Eigenschaften
| XLogP | -1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 23,5 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 16-18 °C (lit.) |
| Siedepunkt | 206 °C (lit.) |
| Dichte | 0.967 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D ~1.462(lit.) |
| Flammpunkt | 226 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Acetonitrile (Slightly), Chloroform (Sparingly), Methanol (Slightly)MISCIBLE |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 15.10±0.10(Predicted) |
| Farbe | Clear colorless to slightly yellow |
| BRN | 1731411 |
| Stabilität | Unstable in Aqueous Solution |
| InChI | 1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2 |
| InChIKey | BLFRQYKZFKYQLO-UHFFFAOYSA-N |
| SMILES | NCCCCO |
| CAS Datenbank | 13325-10-5(CAS DataBase Reference) |
| NIST chemische Informationen | NH2(CH2)4OH(13325-10-5) |
| EPA chemische Informationen | 1-Butanol, 4-amino- (13325-10-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (12.7%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 63 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Butanol, 4-amino- |
| Hazard Classes and Categories | Acute Tox. 4 (12.7%) |
| F | 34 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29221980 |
| R-Sätze (R) | 34-22 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-25 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Beschreibung
4-Amino-1-butanol (4AB) is an important pharmaceutical intermediate compound and a precursor of biodegradable polymers for gene delivery. It can be used in organic synthesis and biological properties studies, among others. In addition, 4-Amino-1-butanol (4AB) has been shown to have a higher CO2 solubility than 2-amino-1-ethanol (MEA), which is potentially useful in solving problems related to flue gas purification[1-2].
Verwenden
4-Amino-1-butanol is a useful intermediate in a variety of organic synthesis. It is mainly used in personal-care products, preparation of water soluble cationic flocculants and ion exchange resins as well as in the preparation of beta-lactam antibiotics. It is used for the production of efficient anionic emulsifiers, nonionic polyethylene emulsions, water treatment, metal treatment and absorption of carbon dioxide gas. It is used as a pigment dispersion aid and curing agent in selected textile -resins.