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3-Dimethylaminopropan-1-ol
3-DIMETHYLAMINOPROPAN-1-OL · 1-Propanol, 3-(dimethylamino)- · Dimethylaminopropanol · N,N-Dimethylaminopropanol · dimethylpropanolamine · Rizatriptan Impurity 16 · 3-DIMETHYLAMINO PROPANOL · 3-Dimehylamino-1-propanol
Identifikatoren & physikalische Daten
| CAS No. | 3179-63-3 |
|---|---|
| Summenformel | C5H13NO |
| Durchschnittliche Molmasse | 103,16 g/mol |
| Monoisotopische Masse | 103,09971404 g/mol |
| SMILES | CN(C)CCCO |
| InChIKey | PYSGFFTXMUWEOT-UHFFFAOYSA-N |
| PubChem CID | 76646 |
| ChEMBL | CHEMBL1209424 |
| EC No. | 221-659-2 |
| DTXSID | DTXSID5062895 |
| Lokaler Name | 3-Dimethylaminopropan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 37,1 |
| Dissociation Constants | 9.3 |
| Schmelzpunkt | -35 °C |
| Siedepunkt | 163-164 °C(lit.) |
| Dichte | 0.872 g/mL at 25 °C(lit.) |
| Dampfdruck | 1.56hPa at 20℃ |
| Brechungsindex | n20/D 1.436(lit.) |
| Flammpunkt | 97 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | Chloroform (Sparingly), DMSO (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)miscible |
| pKa (Säurekonstante) | 15.02±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| pH | 11.3 (10g/l, H2O, 20℃) |
| Explosionsgrenze | 0.9-11.2%(V) |
| BRN | 1732032 |
| Stabilität | Stable. Flammable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3 |
| InChIKey | PYSGFFTXMUWEOT-UHFFFAOYSA-N |
| SMILES | CN(C)CCCO |
| LogP (Verteilungskoeffizient) | -2.59 at 25℃ |
| Oberflächenspannung | 29.01mN/m at 298.15K |
| CAS Datenbank | 3179-63-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Propanol, 3-(dimethylamino)-(3179-63-3) |
| EPA chemische Informationen | 1-Propanol, 3-(dimethylamino)- (3179-63-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 186 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Propanol, 3-(dimethylamino)-Status: Active Update: 05-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/121093-(Dimethylamino)-1-propanol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 34 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29221980 |
| RTECS-Nr. | UB3155000 |
| R-Sätze (R) | 10-41-34-22 |
| Gefahrensymbole | Xi,C |
| Sicherheitshinweise (S) | 26-39-45-36/37/39-16 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Dimethylamino-1-propanol, is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.