Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-하이드록시-N,N,N-트리메틸에탄아미늄
콜린 · 2-하이드록시-N,N,N-트리메틸에탄아미늄 · L-Choline · bilineurine · (2-hydroxyethyl)trimethylammonium · 2-hydroxy-n,n,n-trimethylethanaminium · 2,4,6-TRIS(4-FLUOROPHENYL)PYRYLIUM TETRAFLUOROBORATE · CHOLINE
식별자 및 물리적 특성
| CAS No. | 139741-81-4 |
|---|---|
| 분자식 | C5H14NO+ |
| 평균 분자량 | 104.17 g/mol |
| 단동위원소 질량 | 104.10699049 g/mol |
| SMILES | C[N+](C)(C)CCO |
| InChIKey | OEYIOHPDSNJKLS-UHFFFAOYSA-N |
| PubChem CID | 305 |
| ChEMBL | CHEMBL920 |
| ChEBI | CHEBI:15354 |
| EC No. | 200-535-1 |
| DTXSID | DTXSID8043789 |
| 현지명 | 2-하이드록시-N,N,N-트리메틸에탄아미늄 |
화학 및 물리적 성질
| XLogP | -0.4 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 1 |
| 복잡도 | 46.5 |
| 물질 분류 | Biological Agents -> Vitamins and Derivatives |
| 의약품 | Pharmaceuticals -> BrochodilatorsPharmaceuticals -> Listed in ZINC15 |
| 용해도 | SolubleEasily soluble (water), soluble (ethanol), slightly soluble (amyl alcohol), insoluble ((C2H5)2O, CHCl3) |
| Dietary Ingredients | Choline |
| 녹는점 | 244-247 °C (as chloride salt)302 - 303 °C (chloride salt)232-233 °C (decomp) |
| Physical Description | 50% Aqueous solution: Dark brown cloudy liquid[Sigma-Aldrich MSDS]Solid |
| Collision Cross Section | 117.7 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID9047467]117.6 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]117.8 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]119 Ų [M]+ [CCS Type: DTMethod: stepped-field]117 Ų [M]+ [CCS Type: TWMethod: calibrated with polyalanine]117.4 Ų [M+H]+ |
| 끓는 점 | 195.35°C (rough estimate) |
| 밀도 | 1.09 g/mL at 20 °C |
| 굴절률 | n20/D 1.418 |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 13.9(at 25℃) |
| EPA | Choline (62-49-7) |
화학적 성질
Viscous, alkaline liquid. Soluble in water and alcohol. Amounts are expressed in milligrams of choline.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1.3% (2 of 149) of reports.DangerH225 (70.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P308+P316, P316, P317, P318, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 149 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-Regulation (EC) No 178/2002 (amended)Status: Active Update: 25-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25288Ethanaminium, 2-hydroxy-N,N,N-trimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 기타 안전 정보 | IMAP assessments - Ethanaminium, 2-hydroxy-N,N,N-trimethyl-: Environment tier I assessment |
| 유해성 요약 | 50% Aqueous solution: Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Flam. Liq. 2 (70.5%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3286 3/PG 2 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 8 |
| 기존화학 물질 | KE-20908 |
| F 고인화성물질 | 8-9-23 |
용도
용도
Choline is a substance grouped as a member of the vitamin b complex, although not a vitamin by definition. it is water soluble and is important in nerve function and fat metabolism. it occurs in egg yolk, beef liver, and grains.