기본 정보
- CAS
6441-88-9- 표준 SMILES
COC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2cc(O)ccc12.[Cl-]- InChIKey
VNIQYTQIXRDCTR-UHFFFAOYSA-N- 분자식
- C23H20ClNO4
- 평균 분자량
- 409.9 g/mol
- 단동위원소 질량
- 409.1080858
이름 및 식별자
- 우선 이름
- Xanthylium, 3-(dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1)
- IUPAC
- [6-hydroxy-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium chloride
- 영어명
- N-[6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-ylidene]-N,N-dimethylammonium chloride
- 분자식
- C23H20ClNO4
- 분자량
- 409.87
이름 및 동의어
6441-88-9DTXSID50884312EINECS 229-229-6Xanthylium, 3-(dimethylamino)-6-hydroxy-9-(2-(methoxycarbonyl)phenyl)-, chloride (1:1)Methanaminium, N-(6-hydroxy-9-(2-(methoxycarbonyl)phenyl)-3H-xanthen-3-ylidene)-N-methyl-, chlorideXanthylium, 3-(dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1)Methanaminium, N-[6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-ylidene]-N-methyl-, chlorideRefChem:195205DTXCID401023762N-(6-Hydroxy-9-(2-(methoxycarbonyl)phenyl)-3H-xanthen-3-ylidene)-N,N-dimethylammonium chlorideChloramine Chrome Blue 2GLN[6-hydroxy-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium;chloride
이름 더 보기
1-(5-methyl-2-propan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol,dihydrochlorideN-[6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-ylidene]-N,N-dimethylammonium chlorideMethanaminium, N-(6-hydroxy-9-(2-(methoxycarbonyl)phenyl)-3H-xanthen-3-ylidene)-N-methyl-, chloride (1:1)
NS000472923-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthen-10-ium chloride
물성
구조 계산 물성
- 극성 표면적
- 58.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 771
물리화학적 성질
- EPA
- 6 · Methanaminium, N-[6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-ylidene]-N-methyl-, chloride (6441-88-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationXanthylium, 3-(dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1): INACTIVE
공급사1 곳
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