HCID604152

1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene

1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene

C13H15NO201.26 g/molCAS 2094-99-7

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IDENTITY

结构与身份

标准SMILES: C=C(C)c1cccc(C(C)(C)N=C=O)c1
InChIKey: ZVEMLYIXBCTVOF-UHFFFAOYSA-N
分子式: C13H15NO
平均分子量: 201.26 g/mol
单同位素质量: 201.1153641

COMPUTED

结构计算性质

等待补全

XLogP: 4.6
极性表面积: 29.4 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 287

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 63 条

2094-99-73-Isopropenyl-alpha,alpha-dimethylbenzyl isocyanate1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzeneBenzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-RY29G3V80MIsocyanic acid meta-isopropenyl-alpha,alpha-dimethylbenzyl esterRefChem:944863-TMI402-440-23-Isopropenylcumyl Isocyanate1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene1-(1-Isocyanato-1-methylethyl)-3-isopropenylbenzene3-isopropenyl-alpha,alpha-dimethylbenzylisocyanatem-TMIMFCD00080490DTXSID90448711-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene1-(1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene3-Isopropenyl-.alpha.,.alpha.-dimethylbenzyl isocyanate1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene

REACTIONS

参与反应

40 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09447134B2

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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 (6/10) · 10.1039/C8SC04228D

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uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07452943B2

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uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06352811B1

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uspto-grants-1999_02 · 10.6084/m9.figshare.5104873.v1 · US05872297

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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05480946

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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05480946

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