HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Aminohexan-1-ol
6-Aminohexan-1-ol · 6-AMINOHEXANOL · 1-Hexanol, 6-amino- · 6-Hydroxyhexylamine · H-ACP-OL · H-AHX-OL · H-ACP(6)-OL · Hexanolamine
Identifikatoren & physikalische Daten
| CAS No. | 4048-33-3 |
|---|---|
| Summenformel | C6H15NO |
| Durchschnittliche Molmasse | 117,19 g/mol |
| Monoisotopische Masse | 117,1153641 g/mol |
| SMILES | NCCCCCCO |
| InChIKey | SUTWPJHCRAITLU-UHFFFAOYSA-N |
| PubChem CID | 19960 |
| EC No. | 223-748-1 |
| DTXSID | DTXSID9075242 |
| Lokaler Name | 6-Aminohexan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 39,5 |
| Stoffklassen | Nitrogen Compounds -> Amino Alcohols, Other |
| Physical Description | Brown hygroscopic powder[Acros Organics MSDS] |
| Schmelzpunkt | 54-58 °C (lit.) |
| Siedepunkt | 135-140 °C/30 mmHg (lit.) |
| Dichte | 0.8872 (estimate) |
| Brechungsindex | 1.4444 (estimate) |
| Flammpunkt | 133 °C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO (Slightly), Chloroform (Slightly), Methanol (Slightly)MISCIBLE |
| Aggregatzustand | Crystals |
| pKa (Säurekonstante) | 15.18±0.10(Predicted) |
| Farbe | Light yellow to brown |
| BRN | 1732524 |
| Stabilität | Hygroscopic. Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2 |
| InChIKey | SUTWPJHCRAITLU-UHFFFAOYSA-N |
| SMILES | NCCCCCCO |
| CAS Datenbank | 4048-33-3(CAS DataBase Reference) |
| NIST chemische Informationen | NH2(CH2)6OH(4048-33-3) |
| EPA chemische Informationen | 1-Hexanol, 6-amino- (4048-33-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1-Hexanol, 6-amino-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes respiratory depression and dermatitis in subcutaneous lethal-dose studies of mice (LDLo = 3,000 mg/kg)[RTECS] An irritant[Acros Organics MSDS] See 5-Aminopentan-1-ol. |
| Hazard Classes and Categories | Skin Irrit. 2 (98%) |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29221990 |
| RTECS-Nr. | MO8840000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Gefahrenklasse | IRRITANT, HYGROSCOPICEye Dam. 1Skin Corr. 1B |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
6-Amino-1-hexanol is used in the synthesis of guanidino analogs of roscovitine, which is a cyclin-dependant kinase. Also used in the preparation of tocotrienols which maintain anticancer, antiprolifer ative and antimigratory activity. Behery, F