HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N,N',N'',N'''-Tetraisopropyldiphosphoramid
DPDA · ISO-OMPA · Dipropyldiphosphoramide · tetraisopropylpyrophosphamide · TETRAISOPROPYL PYROPHOS-PHORAMIDE · Tetraisopropylpyrophosphoramide,~96% · TETRA[MONOISOPROPYL]-PYROPHOSPHORTETRAMIDE · Oxybis[bis(isopropylamino)phosphine oxide]
Identifikatoren & physikalische Daten
| CAS No. | 513-00-8 |
|---|---|
| Summenformel | C12H32N4O3P2 |
| Durchschnittliche Molmasse | 342,36 g/mol |
| Monoisotopische Masse | 342,19496414 g/mol |
| SMILES | CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C |
| InChIKey | IOIMDJXKIMCMIG-UHFFFAOYSA-N |
| PubChem CID | 5420 |
| ChEMBL | CHEMBL494887 |
| ChEBI | CHEBI:182475 |
| EC No. | 208-149-5 |
| DTXSID | DTXSID00965589 |
| Lokaler Name | N,N',N'',N'''-Tetraisopropyldiphosphoramid |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 91,5 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 336 |
| Schmelzpunkt | 151 °C(Solv: acetone (67-64-1)) |
| Siedepunkt | 396.7±25.0 °C(Predicted) |
| Dichte | 1.076±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| pKa (Säurekonstante) | 1.22±0.70(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to off-white |
| Biologische Quelle | synthetic |
| InChI | 1S/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18) |
| InChIKey | IOIMDJXKIMCMIG-UHFFFAOYSA-N |
| SMILES | CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C |
| EPA chemische Informationen | Diphosphoramide, N,N',N'',N'''-tetrakis(1-methylethyl)- (513-00-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Diphosphoramide, N,N',N'',N'''-tetrakis(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 1 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 1 |
| R-Sätze (R) | 26/27/28 |
| Gefahrensymbole | T+ |
| Sicherheitshinweise (S) | 22-36/37/39-45 |
| Lagerklasse | 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Gefahrenklasse | Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 Oral |
Anwendungen & Verwendung
Verwenden
Tetraisopropyl pyrophosphoramide has been used:as a butyrylcholinesterase inhibitor to determine the proportions of butyrylcholinesterase (BChE) in cat and tiger plasmato inhibit wild-type BChE in acetylcholinesterase assayto selectively block the enzymatic activity of AChE