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1,4-Dimethylpentylamin
2-Hexanamine, 5-methyl- · 2-aminoisoheptane · 1,4-DIMETHYLPENTYLAMINE · NSC 73708 · 5-methyl-2-he · TIMTEC-BB SBB008544 · RARECHEM AN KC 0228 · 5-methyl-2-hexanamin
Identifikatoren & physikalische Daten
| CAS No. | 28292-43-5 |
|---|---|
| Summenformel | C7H17N |
| Durchschnittliche Molmasse | 115,22 g/mol |
| Monoisotopische Masse | 115,13609954 g/mol |
| SMILES | CC(C)CCC(C)N |
| InChIKey | IZCBXLKODYZSDJ-UHFFFAOYSA-N |
| PubChem CID | 34204 |
| EC No. | 248-941-8 |
| DTXSID | DTXSID60885416 |
| Lokaler Name | 1,4-Dimethylpentylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 50,3 |
| Arzneimittel | DEA NFLIS-Drug Category -> Stimulants |
| Schmelzpunkt | -19°C (estimate) |
| Siedepunkt | 128-129 °C (lit.) |
| Dichte | 0.760 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.416 |
| Flammpunkt | 28°C |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 10.98±0.35(Predicted) |
| BRN | 1731716 |
| InChI | InChI=1S/C7H17N/c1-6(2)4-5-7(3)8/h6-7H,4-5,8H2,1-3H3 |
| InChIKey | IZCBXLKODYZSDJ-UHFFFAOYSA-N |
| SMILES | CC(N)CCC(C)C |
| CAS Datenbank | 28292-43-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Hexanamine, 5-methyl-(28292-43-5) |
| EPA chemische Informationen | 2-Hexanamine, 5-methyl- (28292-43-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2734 8/PG 2 |
| RTECS-Nr. | SC0875000 |
| R-Sätze (R) | 10-34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 3Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Amino-5-methylhexane is an aliphatic amine used in the preparation of pyridines and other cyclic nitrogen based compounds for use ranging from antiparasitics to calcium channel inhibitors.