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N,N,N'-Trimethylpropan-1,3-diamin
stabilisedwithKOH · N,N,N'-TRIMETHYL-1,3 · TRIMETHYLPROPANEDIAMINE · PROPANEDIAMINENNNTRIMETHYL · n,n,n’-trimethyl-3-propanediamine · N N N'-TRIMETHYLTRIMETHYLENEDIAMINE · N,N,N'-trimethylpropane-1,3-diamine · 3-Dimethylamino-N-methylpropylamine
Identifikatoren & physikalische Daten
| CAS No. | 4543-96-8 |
|---|---|
| Summenformel | C6H16N2 |
| Durchschnittliche Molmasse | 116,2 g/mol |
| Monoisotopische Masse | 116,13134851 g/mol |
| SMILES | CNCCCN(C)C |
| InChIKey | SORARJZLMNRBAQ-UHFFFAOYSA-N |
| PubChem CID | 78302 |
| EC No. | 224-901-5 |
| DTXSID | DTXSID6063517 |
| Lokaler Name | N,N,N'-Trimethylpropan-1,3-diamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 43,8 |
| Schmelzpunkt | -7.15°C (estimate) |
| Siedepunkt | 140-142 °C(lit.) |
| Dichte | 0.793 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4283(lit.) |
| Flammpunkt | 94 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Soluble in water. |
| pKa (Säurekonstante) | 10.61±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Stabilität | Hygroscopic |
| InChI | 1S/C6H16N2/c1-7-5-4-6-8(2)3/h7H,4-6H2,1-3H3 |
| InChIKey | SORARJZLMNRBAQ-UHFFFAOYSA-N |
| SMILES | CNCCCN(C)C |
| LogP (Verteilungskoeffizient) | 0.389 (est) |
| CAS Datenbank | 4543-96-8(CAS DataBase Reference) |
| EPA chemische Informationen | 1,3-Propanediamine, N,N,N'-trimethyl- (4543-96-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 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. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2734 8/PG 2 |
| Zollcode | 29212900 |
| R-Sätze (R) | 10-20/21/22-34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 16-26-36/37/39-45 |
| Gefahrenklasse | 3Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
N,N,N′-Trimethyl-1,3-propanediamine was used in preparation of unlabelled N,N,N′-trimethyl-[2-hydroxy-3-methyl-5-iodobenzyl]-1,3-propanediamine (HIDPM).