52392-70-8 ((N-tert-Butyl-alpha-phenylnitrone)

N-tert-Butyl-alpha-phenylnitrone(52392-70-8)名称与标识符

名称

英文别名:
2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide, (Z)-;n-tert-butyl-1-phenylmethanimine oxide;N-tert-Butyl-alpha-phenylnitrone;Phenyl-N-tert-butylnitrone;UNII-3I91332OPG;N-tert-Butyl-alpha-phenylnitrone-d14;N-tert-Butyl-alpha-phenylnitrone [PBN];Pbn [MI];N-tert-Butyl-.alpha.-phenylnitrone;N-ert-utyl-lpha-henylnitrone;GS-3623;N-Benzylidene-2-methylpropan-2-amine oxide;PHENYL T-BUTYLNITRONE;3I91332OPG;N-tert-Butyl-;52392-70-8;2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide, (N(Z))-;(Z)-benzylidene(tert-butyl)azane oxide;2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide;N-Benzylidene-tert-butylamine N-oxide;benzylidene-tert-butylamine oxide;Phenyl Tert-Butyl Nitrone;F11340;N-t-Butyl-alpha-phenylnitrone;n-tert-butyl phenyl nitrone;B1701;(Z)-N-Benzylidene-2-methylpropan-2-amine oxide;3376-24-7;AKOS015888338;NS00015108;(Z)-N-tert-Butyl-1-phenylmethanimine oxide;2-Methyl-N-(phenylmethylene)-2-propanamine N-oxide;DA-76322;A-phenylnitrone;AKOS025310189;HY-128463;InChI=1/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9;azane, (1,1-dimethylethyl)(phenylmethylene)-, oxide, (Z)-;(Z)-N-tert-Butyl-1-phenylmethanimineoxide;CHEMBL13210;F0001-0991;Phenyl t-butylnitrone [INCI];CS-0099161;(Z)-N-(tert-Butyl)-1-phenylmethanimine oxide;MFCD00008799;N-tert-Butyl-a-phenylnitrone;

标识符

MDL:
MFCD00008799
InChIKey:
IYSYLWYGCWTJSG-FMIVXFBMSA-N
Inchi:
1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9+
SMILES:
C(/C1=CC=CC=C1)=[N+](/C(C)(C)C)\[O-]

N-tert-Butyl-alpha-phenylnitrone(52392-70-8)物化性质

计算特性

  • 精确分子量 : 177.115364102Da
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 2
  • 同位素质量 : 177.115364102Da
  • 重原子数量 : 13
  • 复杂度 : 185
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.3
  • 拓扑分子极性表面积 : 28.8Ų

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