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3-Dimethylaminopropan-1,2-diol
3-(DIMETHYLAMINO)-1,2-PROPANEDIOL · UNII:054QW4ZAMU · 3-(Dimethylamino)-1,2-Propaned · 3-DIMETHYLAMINOPROPANE-1,2-DIOL · 3-(dimethylamino)-2-propanediol · 1-Dimethylamino-2,3-propanediol · γ-Dimethylaminopropylene glycol · 1,2-Propanediol, 3-(dimethylamino)-
Identifikatoren & physikalische Daten
| CAS No. | 623-57-4 |
|---|---|
| Summenformel | C5H13NO2 |
| Durchschnittliche Molmasse | 119,16 g/mol |
| Monoisotopische Masse | 119,09462866 g/mol |
| SMILES | CN(C)CC(O)CO |
| InChIKey | QCMHUGYTOGXZIW-UHFFFAOYSA-N |
| PubChem CID | 79078 |
| ChEMBL | CHEMBL26920 |
| EC No. | 210-802-4 |
| DTXSID | DTXSID70883509 |
| Lokaler Name | 3-Dimethylaminopropan-1,2-diol |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 56,4 |
| Siedepunkt | 216-217 °C(lit.) |
| Dichte | 1.004 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4609(lit.) |
| Flammpunkt | 221 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.13±0.20(Predicted) |
| Wichte | 1.001.004 |
| Farbe | Colorless to Light yellow |
| Henry-Konstante | 6.7×102 mol/(m3Pa) at 25℃, Du et al. (2017) |
| Stabilität | Stable. Incompatible with oxidizing agents, acids. |
| InChI | InChI=1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3 |
| InChIKey | QCMHUGYTOGXZIW-UHFFFAOYSA-N |
| SMILES | C(O)C(O)CN(C)C |
| CAS Datenbank | 623-57-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2-Propanediol, 3-(dimethylamino)-(623-57-4) |
| EPA chemische Informationen | 1,2-Propanediol, 3-(dimethylamino)- (623-57-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1C (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3267 8/PG 2 |
| Zollcode | 2922190090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 23-26-27-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-(Dimethylamino)-1,2-propanediol was used in the preparation of:synthetic cationic lipid, N-[1-(2,3-dioleyloxy)propyl-N,N,N-trimethylammonium chloride (DOTMA), used in DNA-transfection protocolindane-derived bis(oxazolines)