HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Amino-1,2-propanediol, (S)-
(S)-3-Aminopropane-1,2-diol · (2S)-3-AMINOPROPANE-1,2-DIOL · 98%, ee 98% · R-3-Amino-1,2-propanol · (S)-amino-1,2-propanediol · (S)-3-AMINO-1,2-PROPANEDIOL · (2S)-3-Amino-1,2-propanediol · 1,2-PROPANEDIOL, 3-AMINO, (S)
Identifikatoren & physikalische Daten
| CAS No. | 61278-21-5 |
|---|---|
| Summenformel | C3H9NO2 |
| Durchschnittliche Molmasse | 91,11 g/mol |
| Monoisotopische Masse | 91,06332853 g/mol |
| SMILES | NC[C@H](O)CO |
| InChIKey | KQIGMPWTAHJUMN-VKHMYHEASA-N |
| PubChem CID | 440902 |
| ChEBI | CHEBI:1456 |
| EC No. | 629-165-2 |
| DTXSID | DTXSID001365974 |
Chemische & physikalische Eigenschaften
| XLogP | -2 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,5 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 32 |
| Schmelzpunkt | 54-56°C |
| Siedepunkt | 117-119 °C/0.4 mmHg (lit.) |
| Dichte | 1.175 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.483(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid To Low Melting Solid |
| pKa (Säurekonstante) | 12.11±0.35(Predicted) |
| Farbe | Colorless to white |
| Löslichkeit | Soluble in water. |
| BRN | 1719122 |
| InChI | 1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2/t3-/m0/s1 |
| InChIKey | KQIGMPWTAHJUMN-VKHMYHEASA-N |
| SMILES | NC[C@H](O)CO |
| CAS Datenbank | 61278-21-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1C (100%) |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3259 8/PG 2 |
| Zollcode | 29221990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
(S)-(-)-3-Amino-1,2-propanediol is used as a chiral selector ligand, used subsequently for a nucleophilic substitution with the dimethoxytrityl (DMT)-protected