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1,3-Dimethylbutylamin
4-Methylpentan-2-aMine · RARECHEM AN KC 0202 · TIMTEC-BB SBB006671 · 1,3-Dimethylbutylamin · 4-methyl-2-pentanamin · 4-Methyl-2-pentylamin · 1,3-dimethyl-butylamin · 1,3-Dimethylbutanamine
Identifikatoren & physikalische Daten
| CAS No. | 108-09-8 |
|---|---|
| Summenformel | C6H15N |
| Durchschnittliche Molmasse | 101,19 g/mol |
| Monoisotopische Masse | 101,12044948 g/mol |
| SMILES | CC(C)CC(C)N |
| InChIKey | UNBMPKNTYKDYCG-UHFFFAOYSA-N |
| PubChem CID | 7908 |
| ChEMBL | CHEMBL1447446 |
| EC No. | 203-549-6 |
| DTXSID | DTXSID4025113 |
| Lokaler Name | 1,3-Dimethylbutylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 41,4 |
| Stoffklassen | Flammable agents - 3rd degree |
| Dichte | 0.75 at 68 °F (NTP, 1992) - Less dense than waterwill float0.717 g/mL at 25 °C(lit.) |
| Flammpunkt | 55 °F (NTP, 1992) |
| Siedepunkt | 223 to 228 °F at 760 mmHg (NTP, 1992)108-110 °C(lit.) |
| Physical Description | 1,3-dimethylbutylamine appears as a liquid with a fishlike odor. Less dense than water. Flash point 39 - 55 °F. Vapors heavier than air. May be toxic by ingestion, inhalation and skin absorption. |
| Schmelzpunkt | -40.7°C (estimate) |
| Brechungsindex | n20/D 1.4085(lit.) |
| Lagerbedingungen | Flammables area |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 11.07±0.42(Predicted) |
| Farbe | Clear colorless |
| Henry-Konstante | 2.3×10-1 mol/(m3Pa) at 25℃, Yaws (2003) |
| Stabilität | Volatile |
| InChI | 1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3 |
| InChIKey | UNBMPKNTYKDYCG-UHFFFAOYSA-N |
| SMILES | CC(C)CC(C)N |
| CAS Datenbank | 108-09-8(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Pentanamine, 4-methyl-(108-09-8) |
| EPA chemische Informationen | 1,3-Dimethylbutylamine (108-09-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Flammable Liquid Corrosive |
| Brandgefahren | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:· Flammable/combustible material. |
| Gesundheitsgefahren | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:· May cause toxic effects if inhaled or ingested. |
| DOT-Nummer und Handbuch | 2379 132 |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 1,3-DIMETHYLBUTYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| DOT Hazard Classification | 1,3-DimethylbutylamineUN2379Class 3 Flammable and combustible liquid (49 eCFR § 173.120)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Highly flammable. Slightly soluble in water. May be air sensitive. |
Anwendungen & Verwendung
Verwenden
1,3-Dimethylbutylamine has been used to study the application of unfunctionized polymethacrylate resin (TSKgel G3000PWXL) as a stationary phase in liquid chromatography with UV detection.