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N,N-Dimethylbutan-1,4-diamin
N1,N1-diMethylbutane-1,4-diaMine · Einecs 222-559-1 · TIMTEC-BB SBB008514 · 4-DIMETHYLAMINOBUTYLAMINE · N,N-DIMETHYLAMINOBUTYLAMINE · N N-DIMETHYL-1,4-DIAMINOBUTANE · 4-Dimethylaminobutylamine ,98% · N',N'-dimethylbutane-1,4-diamine
Identifikatoren & physikalische Daten
| CAS No. | 3529-10-0 |
|---|---|
| Summenformel | C6H16N2 |
| Durchschnittliche Molmasse | 116,2 g/mol |
| Monoisotopische Masse | 116,13134851 g/mol |
| SMILES | CN(C)CCCCN |
| InChIKey | GCOWZPRIMFGIDQ-UHFFFAOYSA-N |
| PubChem CID | 77063 |
| ChEMBL | CHEMBL59625 |
| EC No. | 222-559-1 |
| DTXSID | DTXSID90188780 |
| Lokaler Name | N,N-Dimethylbutan-1,4-diamin |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 43,8 |
| Schmelzpunkt | 60 °C |
| Siedepunkt | 73°C 35mm |
| Dichte | 0.8179 g/cm3 |
| Brechungsindex | 1.4400 |
| Lagerbedingungen | 2-8°C, protect from light |
| pKa (Säurekonstante) | 10.52±0.10(Predicted) |
| Aggregatzustand | solid |
| InChI | 1S/C6H16N2/c1-8(2)6-4-3-5-7/h3-7H2,1-2H3 |
| InChIKey | GCOWZPRIMFGIDQ-UHFFFAOYSA-N |
| SMILES | CN(C)CCCCN |
| CAS Datenbank | 3529-10-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (16.7%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (16.7%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 2735 |
| R-Sätze (R) | 34-36 |
| Gefahrensymbole | Xi,C |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
N,N-Dimethyl-1,4-butanediamine is used as pharmaceutical intermediate.