CAS: 177793-79-2; (S)-N-((S)-Quinuclidin-3-yl)-1,2,3,4-Tetrahydronaphthalene-1-Carboxamide

英文名称(S)-N-((S)-Quinuclidin-3-yl)-1,2,3,4-Tetrahydronaphthalene-1-Carboxamide
中文名称(S)-N-((S)-奎宁环-3-基)-1,2,3,4-四氢化萘-1-甲酰胺
IUPAC名称(S)-N-((S)-quinuclidin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
其它别名N-(1-氮杂双环[2.2.2]辛-3S-基)-1,2,3,4四氢萘-1S-甲酰胺; Palonosetron Impurity 32
CAS编号177793-79-2
MFCD编号:MFCD28144997
分子式:C18H24N2O分子量:284.4
产品CID: 905104
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: KOAZNWLKDYIEHQ-DLBZAZTESA-N
InChI=1S/C18H24N2O/c21-18(19-17-12-20-10-8-14(17)9-11-20)16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,14,16-17H,3,5,7-12H2,(H,19,21)/t16-,17+/m0/s1
计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数2.0

物理性质

熔点192-193°C
沸点495.3±34.0°C at 760 mmHg
密度1.17±0.1 g/cm3(预测)
pKa:14.98±0.20(预测)
PSA:32.34
LogP:2.3169
溶解性DMSO (Slightly, Heated), Methanol (Slightly)
外观形态白色至类白色固体
储存条件密封, 常温干燥保存
产品应用该化合物用作氢氯化合成中的中间体.

上下游产品

tetralin-1-carboxylic acid (S)-3-aminoquinuclidine (S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid 1,2,3,4-tetrahydronaphthalene-1-carbonyl chloride palonosetron hydr°Chloride palonosetron (1-azabicyclo[2.2.2]°Ct-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amine