HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Aminotetralin, (S)-
(S)-1-AMINOTETRALIN · (1S)-tetralin-1-amine · (S)-(+)-1-AMINOTETRALIN · (S)-(-)-1-AMINOTETRALIN · (S)-1, 2, 3, 4- Tetr... · (S)-(+)-1-AMINOTETRALINE · (s)-(+)-1-aminotetralin tm · S-(+)-1-AMinotetrahydronaphthalene
Identifikatoren & physikalische Daten
| CAS No. | 23357-52-0 |
|---|---|
| Summenformel | C10H13N |
| Durchschnittliche Molmasse | 147,22 g/mol |
| Monoisotopische Masse | 147,10479942 g/mol |
| SMILES | N[C@H]1CCCc2ccccc21 |
| InChIKey | JRZGPXSSNPTNMA-JTQLQIEISA-N |
| PubChem CID | 7058074 |
| ChEMBL | CHEMBL39537 |
| EC No. | 629-348-7 |
| DTXSID | DTXSID301335744 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 133 |
| Siedepunkt | 118-120°C 7,6mm |
| Dichte | 1.010 |
| Brechungsindex | 1.565 |
| Flammpunkt | >110°C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 9.39±0.20(Predicted) |
| Farbe | colorless to pale yellow transparent |
| Löslichkeit | Soluble in water. |
| BRN | 2360279 |
| InChI | InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2/t10-/m0/s1 |
| InChIKey | JRZGPXSSNPTNMA-JTQLQIEISA-N |
| SMILES | [C@@H]1(N)C2=C(C=CC=C2)CCC1 |
| CAS Datenbank | 23357-52-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (70.8%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 154 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 06-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/12807 |
| Hazard Classes and Categories | Acute Tox. 4 (70.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | No |
| UN-Transportnummer | UN 3082 |
| Zollcode | 29214500 |
| R-Sätze (R) | 36/37-51/53-36/37/38-34-52/53-22 |
| Gefahrensymbole | Xi,N,C |
| Sicherheitshinweise (S) | 26-36/37/39-61-45 |
| Gefahrenklasse | 8Acute Tox. 4 OralAquatic Chronic 3Skin Corr. 1C |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
A chiral amine derivative, (S)-1,2,3,4-Tetrahydro-1-naphthalenamine can be used in studies of real-time chiral discrimination of enantiomers as well as in studies of kinetic resolution of chiral amines with ω-transaminase using an enzyme-membrane re actor.