N~1~,N~1~-dimethyl-4-nitro-1,2-benzenediamine N1,N1-二甲基-4-硝基苯-1,2-二胺

CAS 5367-52-2 MFCD11553075

化学结构图

5367-52-2
SMILES: CN(C)c1ccc([N+](=O)[O-])cc1N

化学属性

Mol. FormulaC8H11N3O2
Mol. Weight181.19
Melting Point58-60 °C

别名和识别编码

Chemical NameN~1~,N~1~-dimethyl-4-nitro-1,2-benzenediamine
CAS Number5367-52-2
Alfabeta NameN~N~DIMETHYLNITROBENZENEDIAMINE ~~11412-----,,
MDL NumberMFCD11553075
Chemical Name TranslationN1,N1-二甲基-4-硝基苯-1,2-二胺
LabNetwork Molecule IDLN00149889
PubChem Substance ID5251547
InChIInChI=1S/C8H11N3O2/c1-10(2)8-4-3-6(11(12)13)5-7(8)9/h3-5H,9H2,1-2H3
Synonym N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {LY} N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {} {LY} N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {} {} {LY} N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {} {} {} {LY} N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {} {} {} {} {LY} N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {} {} {} {} {} {LY} N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {} {} {} {LY} N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {LY} N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {LY} N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {LY} N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {} {LY} N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {} {} {LY} N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {} {} {} {LY} N1,N1-dimethyl-4-nitrobenzene-1,2-diamine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N1,N1-dimethyl-4-nitrobenzene
Canonical SMILESCN(C)C1=C(C=C(C=C1)[N+](=O)[O-])N
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分类

  • {KO} Nitros
  • {KO} Anilines

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
1
H-bond Donors
1
LogP
1

系列性分类

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