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1,2,2-Trimethylpropylamin
3,3-dimethylbutan-2-amine · 2-Butanamine, 3,3-dimethyl- · 3,3-Dimethyl-2-butanamine · TIMTEC-BB SBB005830 · 3,3-dimethyl-2-butanamin · 3,3-DIMETHYL-2-BUTYLAMINE · 3,3-Dimethylbut-2-ylamine · 1,2,2-TRIMETHYLPROPYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 3850-30-4 |
|---|---|
| Summenformel | C6H15N |
| Durchschnittliche Molmasse | 101,19 g/mol |
| Monoisotopische Masse | 101,12044948 g/mol |
| SMILES | CC(N)C(C)(C)C |
| InChIKey | DXSUORGKJZADET-UHFFFAOYSA-N |
| PubChem CID | 520907 |
| EC No. | 223-353-4 |
| DTXSID | DTXSID30871043 |
| Lokaler Name | 1,2,2-Trimethylpropylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 51,7 |
| Schmelzpunkt | -20 °C |
| Siedepunkt | 102-103 °C |
| Dichte | 0.755 |
| Brechungsindex | 1.413-1.415 |
| Flammpunkt | 1 °C |
| Lagerbedingungen | Flammables area |
| pKa (Säurekonstante) | 10.86±0.13(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Fully miscible in water. |
| Henry-Konstante | 2.4×10-1 mol/(m3Pa) at 25℃, Yaws (2003) |
| InChI | 1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3 |
| InChIKey | DXSUORGKJZADET-UHFFFAOYSA-N |
| SMILES | CC(N)C(C)(C)C |
| CAS Datenbank | 3850-30-4(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Butanamine, 3,3-dimethyl- (3850-30-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (85.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (85.7%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2733 |
| Zollcode | 29211999 |
| R-Sätze (R) | 34-20/21/22-11-22 |
| Gefahrensymbole | C-F,Xi,Xn |
| Sicherheitshinweise (S) | 45-36/37/39-26-16 |
| Gefahrenklasse | 3Acute Tox. 4 Oral |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
(+/-)-3,3-Dimethyl-2-butylamine is used to produce 1-pyridin-3-yl-3-(1,2,2-trimethyl-propyl)-thiourea. It is also used as pharmaceutical intermediates.