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2-Aminoethyldihydrogenphosphat
PHOSPHOETHANOLAMINE · O-PHOSPHOETHANOLAMINE · PHOSPHORYLETHANOLAMINE · PHOSPHORYL COLAMINE · 2-AMINOETHYL DIHYDROGEN PHOSPHATE · Pe 104 · NSC 254167 · NSC 25416)
Identifikatoren & physikalische Daten
| CAS No. | 1071-23-4 |
|---|---|
| Summenformel | C2H8NO4P |
| Durchschnittliche Molmasse | 141,06 g/mol |
| Monoisotopische Masse | 141,01909473 g/mol |
| SMILES | NCCOP(=O)(O)O |
| InChIKey | SUHOOTKUPISOBE-UHFFFAOYSA-N |
| PubChem CID | 1015 |
| ChEMBL | CHEMBL146972 |
| ChEBI | CHEBI:17553 |
| EC No. | 213-988-5 |
| DTXSID | DTXSID5061453 |
| Lokaler Name | 2-Aminoethyldihydrogenphosphat |
Chemische & physikalische Eigenschaften
| XLogP | -4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 92,8 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 98 |
| Löslichkeit | 72 mg/mLSoluble in waterPBS (pH 7.2): 10 mg/ml |
| Schmelzpunkt | 241-243 °C241 - 243 °C241-243 °C(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 121.6 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]123 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]123.2 Ų [M-H]- [CCS Type: DT123.4 Ų [M-H]- |
| Siedepunkt | 335.8±44.0 °C(Predicted) |
| Dichte | 1.554±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | pK1:5.838(+1)pK2:10.638(0) (25°C) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| BRN | 1758916 |
| InChI | InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) |
| InChIKey | SUHOOTKUPISOBE-UHFFFAOYSA-N |
| SMILES | C(OP(O)(O)=O)CN |
| CAS Datenbank | 1071-23-4(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanol, 2-amino-, dihydrogen phosphate (ester) (1071-23-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 3.7% (3 of 80) of reports.DangerH314 (92.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (38.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 80 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 80 reports by companies.There are 5 notifications provided by 77 of 80 reports by companies with hazard statement code(s).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. |
|---|---|
| Regulatorische Informationen | Phosphorylethanolamine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (92.5%)Eye Dam. 1 (38.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29221990 |
| RTECS-Nr. | KJ5830000 |
| R-Sätze (R) | 25-34 |
| Toxizität | LD50 orally in Rabbit: 5820 mg/kg |
| Gefahrensymbole | T,C |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
O-PHOSPHORYLETHANOLAMINEe is used in the synthesis of Sphingomyelin, a type of sphingolipid found in animal cell membrane.