2829-27-8 (N-[(4-nitrophenyl)methylideneamino]aniline,N-[(4-nitrophenyl)methylideneamino]aniline)

CAS号:
2829-27-8
中文名称:
N-[(4-nitrophenyl)methylideneamino]aniline
英文名称:
N-[(4-nitrophenyl)methylideneamino]aniline
分子式:
C13H11N3O2
分子量:
241.245342493057

N-[(4-nitrophenyl)methylideneamino]aniline(2829-27-8)名称与标识符

名称

中文别名:
N-[(4-nitrophenyl)methylideneamino]aniline;
英文别名:
N-[(4-nitrophenyl)methylideneamino]aniline;4-nitrobenzaldehyde ethylene acetal;2-(4'-nitrophenyl)-1,3-dioxolane;2-(p-Nitrophenyl)-1,3-dioxolane;4-nitro-benzaldehyde phenylhydrazone;2-(4-nitrophenyl)-[1,3]-dioxolane;1, 2-(p-nitrophenyl)-;NSC105593;4-nitrobenzylidene phenylhydrazine;NCIOpen2_002237;ACMC-209g83;AC1L6GTR;2-[4'-nitrophenyl]-1,3-dioxolane;AC1Q1Z8T;4-Nitro-benzaldehyd-phenylhydrazon;4-nitrobenzaldehyde phenylhydrazone;4-nitrobenzaldehyde N-phenylhydrazone;SureCN699498;p-nitro-benzaldehyde phenylhydrazone;4-(1,3-dioxalan-2-yl)nitrobenzene;p-nitrobenzaldehyde ethylene acetal;4-nitrobenzaldehyde ethylene acetal; 2-(4'-nitrophenyl)-1,3-dioxolane; 2-(p-Nitrophenyl)-1,3-dioxolane; 4-nitro-benzaldehyde phenylhydrazone; 2-(4-nitrophenyl)-[1,3]-dioxolane; 1, 2-(p-nitrophenyl)-; NSC105593; 4-nitrobenzylidene phenylhydrazine; NCIOpen2_002237; ACMC-209g83; AC1L6GTR; 2-[4'-nitrophenyl]-1,3-dioxolane; AC1Q1Z8T; 4-Nitro-benzaldehyd-phenylhydrazon; 4-nitrobenzaldehyde phenylhydrazone; 4-nitrobenzaldehyde N-phenylhydrazon;2829-27-8;NCIOpen2_003896;Maybridge1_005048;p-nitrobenzaldehyde phenylhydrazone;SMR001559853;HMS3085A06;C13H11N3O2;CBDivE_002167;CHEMBL1712679;SCHEMBL11231373;DS-002188;AKOS004910061;1-(4-nitrobenzylidene)-2-phenylhydrazine;MLS002693913;

标识符

InChIKey:
IXMQSJMHAYPXSV-UVTDQMKNSA-N
Inchi:
1S/C13H11N3O2/c17-16(18)13-8-6-11(7-9-13)10-14-15-12-4-2-1-3-5-12/h1-10,15H/b14-10-
SMILES:
[O-][N+](C1C=CC(/C=N\NC2C=CC=CC=2)=CC=1)=O

N-[(4-nitrophenyl)methylideneamino]aniline(2829-27-8)物化性质

实验特性

  • LogP : 3.63700
  • PSA : 67.53

计算特性

  • 精确分子量 : 241.08523
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 241.085126602g/mol
  • 重原子数量 : 18
  • 复杂度 : 287
  • 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 : 0
  • 不确定化学键立构中心数量 : 1
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.4
  • 拓扑分子极性表面积 : 70.2Ų

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