HCID2272

Azobenzene

diphenyldiazene

C12H10N2182.22 g/molCAS 103-33-3

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IDENTITY

结构与身份

标准SMILES: c1ccc(N=Nc2ccccc2)cc1
InChIKey: DMLAVOWQYNRWNQ-UHFFFAOYSA-N
分子式: C12H10N2
平均分子量: 182.22 g/mol
单同位素质量: 182.08439833

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 24.7 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 157

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1556；1591；1566；1597.2；1556

1606.8；278

Collision Cross Section

139.5 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8020123]

141.92 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；135.82 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

USES

用途与制造

来源：PubChem

Use Classification

Pharmaceuticals -> Animal Drugs -> Approved in Taiwan

ALIASES

名称与别名

共 164 条

azobenzene103-33-3Diphenyldiazene1,2-Diphenyldiazene(E)-1,2-DiphenyldiazeneDiazene, diphenyl-AzobenzolDiphenyldiimideAzobenzideAzobisbenzeneAzofume(E)-DiphenyldiazeneDiazobenzeneBenzofumeBenzeneazobenzeneAzodibenzeneazofume(Z)-Azobenzenecis-AzobenzeneBenzene, azobis-Diazene, 1,2-diphenyl-

REACTIONS

参与反应

45 条

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05618979

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

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