Isopentylamin
IAA · 3-Methylbutan-1-amine · ISOPENTYLAMINE · 3-METHYLBUTYLAMINE · Leucamine · FEMA 3219 · ISOAMYLAMIN · isobutyl isocyanide
Identifikatoren & physikalische Daten
| CAS No. | 107-85-7 |
|---|---|
| Summenformel | C5H13N |
| Durchschnittliche Molmasse | 87,16 g/mol |
| Monoisotopische Masse | 87,10479942 g/mol |
| SMILES | CC(C)CCN |
| InChIKey | BMFVGAAISNGQNM-UHFFFAOYSA-N |
| PubChem CID | 7894 |
| ChEMBL | CHEMBL42003 |
| ChEBI | CHEBI:43689 |
| EC No. | 203-526-0 |
| DTXSID | DTXSID7059355 |
| Lokaler Name | Isopentylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 25 |
| Schmelzpunkt | -60 °C |
| Siedepunkt | 95-97 °C (lit.) |
| Dichte | 0.751 g/mL at 25 °C (lit.) |
| Dampfdruck | 48hPa at 20℃ |
| Brechungsindex | n20/D 1.408(lit.) |
| FEMA | 3219 | ISOPENTYLAMINE |
| Flammpunkt | 65 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | Completely miscible in waterChloroform, Methanol (Slightly) |
| pKa (Säurekonstante) | 10.6(at 25℃) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Geruch | at 0.10 % in propylene glycol. unpleasent ammonia |
| Geruchsart | ammoniacal |
| Biologische Quelle | synthetic |
| Merck | 14,5112 |
| JECFA Number | 1587 |
| BRN | 1209230 |
| Henry-Konstante | 3.2×10-1 mol/(m3Pa) at 25℃, Yaws (2003) |
| Stabilität | Volatile |
| InChI | 1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3 |
| InChIKey | BMFVGAAISNGQNM-UHFFFAOYSA-N |
| SMILES | CC(C)CCN |
| LogP (Verteilungskoeffizient) | 0.139 at 25℃ |
| CAS Datenbank | 107-85-7(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Butanamine, 3-methyl- (107-85-7) |
Sicherheit & Vorschriften
| F | 34 |
|---|---|
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1106 3/PG 2 |
| Zollcode | 29211999 |
| R-Sätze (R) | 11-22-34-20/22 |
| Gefahrensymbole | F,C |
| Sicherheitshinweise (S) | 16-26-36/37/39-45 |
| Gefahrenklasse | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Beschreibung
Isopentylamine has an unpleasant ammoniacal odor. May be synthesized from isoamyl chloride and sodamide in liquid ammonia; by reduction of isoamyl nitrile.
Occurrence
Reported found in rye ergot and in many botanical sources (Rosaceae, Saxifragaceae, Umbelliferae, Caprifoliaceae); also commonly found among the degradation products of proteins. Reported found in apple, banana, grapes, kale, rutabaga, tomato, wheat bread, cheeses, caviar, cooked beef and pork, hop oil, sherry, beer, red and white wine, cocoa, coffee, rhubarb and truffle.
Verwenden
Isoamylamine is used in organic syntheses.
Herstellung & Synthese
synthetische
From isoamyl chloride and sodamide in liquid ammonia; by reduction of isoamyl nitrile.