기본 정보
- CAS
60394-88-9- 표준 SMILES
COc1ccc(-c2ccc3cc4c(cc3c2N(C)C=O)OCO4)c(O)c1OC- InChIKey
WWWKIQOQQGESSQ-UHFFFAOYSA-N- 분자식
- C21H19NO6
- 평균 분자량
- 381.4 g/mol
- 단동위원소 질량
- 381.12123733
이름 및 식별자
- 우선 이름
- Arnottianamide
- IUPAC
- N-[6-(2-hydroxy-3,4-dimethoxyphenyl)benzo[f][1,3]benzodioxol-5-yl]-N-methylformamide
- 영어명
- N-[6-(2-Hydroxy-3,4-dimethoxy phenyl)naphtho[2,3-d][1,3]dioxol-5-yl]-N-methylformamide
- 분자식
- C21H19NO6
- 분자량
- 381.38
이름 및 동의어
ArnottianamideFormamide, N-(6-(2-hydroxy-3,4-dimethoxyphenyl)naphtho(2,3-d)-1,3-dioxol-5-yl)-N-methyl-N-[6-(2-hydroxy-3,4-dimethoxyphenyl)benzo[f][1,3]benzodioxol-5-yl]-N-methylformamideDTXSID30209145N-(6-(2-hydroxy-3,4-dimethoxyphenyl)benzo(f)(1,3)benzodioxol-5-yl)-N-methylformamideRefChem:114148DTXCID5013163660394-88-9N-[6-(2-Hydroxy-3,4-dimethoxy phenyl)naphtho[2,3-d][1,3]dioxol-5-yl]-N-methylformamideN-[6-(2-Hydroxy-3,4-dimethoxy-phenyl)-naphtho[2,3-d][1,3]dioxol-5-yl]-N-methyl-formamideN-[6-(2-hydroxy-3,4-dimethoxyphenyl)-2H-naphtho[2,3-d][1,3]dioxol-5-yl]-N-methylformamideDB-298682
이름 더 보기
Formamide, N-[6-(2-hydroxy-3,4-dimethoxyphenyl)naphtho[2,3-d]-1,3-dioxol-5-yl]-N-methyl-N-[6-(2-HYDROXY-3,4-DIMETHOXY-PHENYL)-NAPHTHO[2,3-'D][1,3]DIOXOL-5-YL]-N-METHYL-FORMAMIDE
N-[6-(2-hydroxy-3,4-dimethoxy phenyl)naphtho[2,3-d][1,3]dioxol-5-yl ]-N-methylformamide
데이터베이스 식별자
- CAS
60394-88-9- PubChem CID
- 3085181
- DTXSID
DTXSID30209145- Nikkaji
- J17.916G
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 77.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 547
물리화학적 성질
- 녹는점
- 264 · 264-267 °C
- 끓는 점
- 573.8 · 573.8±50.0 °C(Predicted)
- 밀도
- 1.353 · 1.353±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.5 · 8.50±0.40(Predicted)
화학 및 산업
응용 분야
개요Arnottianamide occurs in Xanthoxylum arnottianum and, in trace amounts, in X. cuspidatum. It crystallizes as colourless prisms from EtOH and gives an ultraviolet spectrum in ethanol with absorption maxima at 236 and 332 nm and shoulders at 280 and 324 nm. The structure has been elucidated from chemical and spectro-scopic data and confirmed by its preparation from chelerythrine chloride by a Baeyer-Villiger type oxidation of the irnmonium group. Treatment with LiA1H4 gives the deoxo derivative as colourless prisms, m.p. 200-2°C, forming a crystalline methyl derivative, m.p. l66.5-168.5°C.
공급사3 곳
南宁赛菲尔生物科技有限公司18877121284;15078879878 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
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