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기본 정보
- CAS
18696-26-9- 표준 SMILES
COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O- InChIKey
HUJXHFRXWWGYQH-UHFFFAOYSA-O- 분자식
- C16H24NO5+
- 평균 분자량
- 310.37 g/mol
- 단동위원소 질량
- 310.16489929
이름 및 식별자
- 우선 이름
- Sinapine
- IUPAC
- 2-{[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-N,N,N-trimethylethan-1-aminium
- 영어명
- Sinapine
- 분자식
- [C16H24NO5]+.
- 분자량
- 0
이름 및 동의어
SinapinSinapic acid choline ester2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-N,N,N-trimethylethan-1-aminium((2-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylaminyl)(E)-2-((3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-N,N,N-trimethylethan-1-aminium2-[[3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-N,N,N-trimethylethanaminium2-[[3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-N,N,N-trimethylethanaminiumEthanaminium, 2-((3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)o xy)-N,N,N-trimethyl-Ethanaminium,2-[[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-N,N,N-trimethyl-2-((3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)o xy)-N,N,N-trimethyl-2-[[3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-N,N,N-trimethylethanaminium
데이터베이스 식별자
- CAS
18696-26-9、84123-22-8- PubChem CID
- 5280385
- DTXSID
DTXSID10171957- ChEBI
CHEBI:16353- UNII
- 09211A0HHL
물성
물리화학적 성질
- 녹는점
- 178 ℃ · 178℃
- 저장 조건
- 4 °C, · 4°C, away from moisture and light
- 용해도
- 250 mg/mL · DMSO : 250 mg/mL (805.52 mM; Need ultrasonic)
- 물리적 상태
- 가루
- 색상
- Off-white to yellow
- InChI
- InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1
- InChIKey
- HUJXHFRXWWGYQH-UHFFFAOYSA-O
- SMILES
- C1(O)=C(OC)C=C(C=C1OC)/C=C/C(OCC[N+](C)(C)C)=O
- LogP
- -3.37 · -3.370 (est)
화학 및 산업
공급사100 곳
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成都彼样生物科技有限公司18108052721 · [email protected]
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