HCID43027

3,8-Diazabicyclo(3.2.1)octane-8-carboxylic acid, 3-methyl-, ethyl ester

ethyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

C10H18N2O2198.26 g/molCAS 52320-96-4

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)N1C2CCC1CN(C)C2
InChIKey: KBFADUFECIUFCN-UHFFFAOYSA-N
分子式: C10H18N2O2
平均分子量: 198.26 g/mol
单同位素质量: 198.13682782

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 32.8 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 218

ALIASES

名称与别名

共 15 条

59436-69-03,8-DIAZABICYCLO(3.2.1)OCTANE-8-CARBOXYLIC ACID, 3-METHYL-, ETHYL ESTERRefChem:106621952320-96-43-Methyl-3,8-diazabicyclo(3.2.1)octane-8-carboxylic acid ethyl ester3-Methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid ethyl esterethyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylateBRN 0610415NSC152744SCHEMBL11774908DTXSID50966703KBFADUFECIUFCN-UHFFFAOYSA-NNSC-152744DB-3154838-carbethoxy-3-methyl-3,8-diazabicyclo[3.2.1]octane

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1976_04 · 10.6084/m9.figshare.5104873.v1 · US03951980

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