HCID57415901

3-(Dibenzylamino)oxetane-3-carbonitrile

C18H18N2O278.3 g/molCAS 1021393-00-9

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IDENTITY

结构与身份

标准SMILES: N#CC1(N(Cc2ccccc2)Cc2ccccc2)COC1
InChIKey: ACAWKDAFHOUZKV-UHFFFAOYSA-N
分子式: C18H18N2O
平均分子量: 278.3 g/mol
单同位素质量: 278.1419132

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 36.3 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 5
重原子: 21
形式电荷: 0
复杂度: 350

ALIASES

名称与别名

共 18 条

3-(DIBENZYLAMINO)OXETANE-3-CARBONITRILE1021393-00-9MFCD184327753-OXETANECARBONITRILE, 3-[BIS(PHENYLMETHYL)AMINO]-3-[BIS(PHENYLMETHYL)AMINO]-3-OXETANECARBONITRILE3-dibenzylamino-oxetan-3-carbonitrile3-Dibenzylamino-oxetane-3-carbonitrileSCHEMBL75648DTXSID00725584ACAWKDAFHOUZKV-UHFFFAOYSA-NAKOS015949523PB212823-(Dibenzylamino)-3-oxetanecarbonitrileAS-41764SY098623DB-023372CS-0051698F229999

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129423B2

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uspto-grants-2015_09 · 10.6084/m9.figshare.5104873.v1 · US09126998B2

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