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1-Dimethylaminopropan-2-ol
INN · dimepranol · DIMETHYLAMINO-2-PROPANOL · N,N-DIMETHYLISOPROPANOLAMINE · 1-Dimethylamino-2-propanol,N,N-Dimethylisopropanolamine · DMA 2P · NSC 3163 · 1-DimethyL
Identifikatoren & physikalische Daten
| CAS No. | 108-16-7 |
|---|---|
| Summenformel | C5H13NO |
| Durchschnittliche Molmasse | 103,16 g/mol |
| Monoisotopische Masse | 103,09971404 g/mol |
| SMILES | CC(O)CN(C)C |
| InChIKey | NCXUNZWLEYGQAH-UHFFFAOYSA-N |
| PubChem CID | 37511 |
| ChEMBL | CHEMBL3186209 |
| EC No. | 203-556-4 |
| DTXSID | DTXSID5031210 |
| Lokaler Name | 1-Dimethylaminopropan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 45,3 |
| Stoffklassen | Flammable agents - 3rd degree |
| Arzneimittel | Pharmaceuticals |
| Physical Description | Liquid |
| Schmelzpunkt | -85 °C |
| Siedepunkt | 96 °C |
| Dichte | 0.913 g/mL at 25 °C |
| Dampfdichte | 3.6 (vs air) |
| Dampfdruck | 8 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.42 |
| Flammpunkt | 96 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Methanol (Soluble)miscible |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 14.95±0.20(Predicted) |
| Farbe | Clear colorless to yellow |
| pH | 11 (100g/l, H2O, 20℃) |
| Explosionsgrenze | 2.7-11.1%(V) |
| BRN | 1209244 |
| Stabilität | Stable. Flammable. Incompatible with strong oxidizing agents, amines, acids. |
| Kosmetik-Inhaltsstoffe Funktionen | BUFFERING |
| InChI | 1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3 |
| InChIKey | NCXUNZWLEYGQAH-UHFFFAOYSA-N |
| SMILES | CC(O)CN(C)C |
| LogP (Verteilungskoeffizient) | -0.12 at 23℃ |
| CAS Datenbank | 108-16-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Propanol, 1-(dimethylamino)-(108-16-7) |
| EPA chemische Informationen | 2-Propanol, 1-(dimethylamino)- (108-16-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)H226 (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+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propanol, 1-(dimethylamino)-2-Propanol, 1-(dimethylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1-(dimethylamino)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 12-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/120611-(Dimethylamino)-2-propanol: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable liquid - category 3Flammable agents - 3rd degree |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2734 8/PG 2 |
| Zollcode | 29221980 |
| RTECS-Nr. | UB3150000 |
| R-Sätze (R) | 10-22-34 |
| Toxizität | LD50 orally in Rabbit: 1360 mg/kg |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-36-23 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Selbstentzündungstemperatur | 225 °C |
Anwendungen & Verwendung
Verwenden
1-Dimethylamino-2-propanol is one of the compounds used to identify the illegal manufacture of methadone.cv