trans-N,N'-dimethyl-1,2-cyclohexanediamine
(1R,2R)-N1,N2-dimethylcyclohexane-1,2-diamine · t-DMACH · trans-N,N'-Dimethyl-1,2-cyclohexanediamine · trans-N,N'-Dimethylcyclohexane-1,2-diamine · trans-N1,N2-DiMethylcyclohexane-1,2-diaMine · trans-N,N · N,N-Dimethylcyclohexanediamine · trans-N,N'-DimethyL
Identifikatoren & physikalische Daten
| CAS No. | 67579-81-1 |
|---|---|
| Summenformel | C8H18N2 |
| Durchschnittliche Molmasse | 142,24 g/mol |
| Monoisotopische Masse | 142,14699858 g/mol |
| SMILES | CN[C@@H]1CCCC[C@H]1NC |
| InChIKey | JRHPOFJADXHYBR-HTQZYQBOSA-N |
| PubChem CID | 2733821 |
| EC No. | 614-082-6 |
| DTXSID | DTXSID20986938 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 24,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 81,3 |
| Schmelzpunkt | 4°C |
| Siedepunkt | 83 °C / 13mmHg |
| Dichte | 0.89 |
| Brechungsindex | n20/D1.472(lit.) |
| Flammpunkt | 60℃ |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 11.04±0.40(Predicted) |
| Farbe | colorless to pale yellow |
| InChI | InChI=1/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/s3 |
| InChIKey | JRHPOFJADXHYBR-HTQZYQBOSA-N |
| SMILES | [C@@H]1(NC)CCCC[C@H]1NC |&1:0,7,r| |
| CAS Datenbank | 67579-81-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (70.3%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 64 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 09-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23000 |
| Hazard Classes and Categories | Acute Tox. 4 (70.3%)Acute Tox. 4 (93.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2735 |
| Zollcode | 2921309990 |
| R-Sätze (R) | 36/37/38-34-22 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | Ⅱ |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Beschreibung
Trans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine is a useful research chemical for organic synthesis and other chemical processes.
Verwenden
trans-N,N′-dimethylcyclohexane-1,2-diamine can be used as a ligand in the synthesis of the following products via copper catalyzed C-N coupling reactions:vinylsulfoximines obtained from NH sulfoximes and vinyl bromidesN-arylpyridones obtained via reaction between 2-substituted pyridines and aryl halidesN-aryl amines obtained via reaction between amines and aryl iodides/aryl bromides