Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Phosphoethanolamine
PHOSPHOETHANOLAMINE · O-PHOSPHOETHANOLAMINE · PHOSPHORYLETHANOLAMINE · PHOSPHORYL COLAMINE · 2-AMINOETHYL DIHYDROGEN PHOSPHATE · Pe 104 · NSC 254167 · NSC 25416)
식별자 및 물리적 특성
| CAS No. | 1071-23-4 |
|---|---|
| 분자식 | C2H8NO4P |
| 평균 분자량 | 141.06 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | -4.8 |
|---|---|
| 극성 표면적 | 92.8 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 98 |
| 용해도 | 72 mg/mLPBS (pH 7.2): 10 mg/ml |
| 녹는점 | 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]- |
| 끓는 점 | 335.8±44.0 °C(Predicted) |
| 밀도 | 1.554±0.06 g/cm3(Predicted) |
| 저장 조건 | Store below +30°C. |
| 용해도 | 물에 용해됨 |
| pKa(산도 계수) | pK1:5.838(+1)pK2:10.638(0) (25°C) |
| 물리적 상태 | powder to crystal |
| 색상 | 흰색에서 밝은 노란색 |
| 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 |
| EPA | Ethanol, 2-amino-, dihydrogen phosphate (ester) (1071-23-4) |
화학적 성질
O-PHOSPHORYLETHANOLAMINE is white powder
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | KJ5830000 |
| 운송 번호(UN) | UN 3261 8/PG 2 |
| 독성 | LD50 orally in Rabbit: 5820 mg/kg |
| 관세 코드 | 29221990 |
| 위험 문구(R) | 25-34 |
| 위험 표시 | T,C |
| 안전 문구(S) | 26-36/37/39-45-27 |
| 포장분류 | III |
| 위험 등급 | 8 |
용도
용도
O-PHOSPHORYLETHANOLAMINEe is used in the synthesis of Sphingomyelin, a type of sphingolipid found in animal cell membrane.