20691-71-8,MFCD01320677
Catalog No.:AA002IP7

20691-71-8 | N1,N1-Dimethyl-4-nitrobenzene-1,3-diamine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$144.00   $101.00
- +
1g
95%
in stock  
$230.00   $161.00
- +
5g
95%
in stock  
$525.00   $368.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002IP7
Chemical Name:
N1,N1-Dimethyl-4-nitrobenzene-1,3-diamine
CAS Number:
20691-71-8
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD01320677
SMILES:
CN(c1ccc(c(c1)N)[N+](=O)[O-])C
Properties
Computed Properties
 
Complexity:
190  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Arcos;Miller[JournaloftheAmericanChemicalSociety,1955,vol.77,p.3128]

[1]vanRomburgh[RecueildesTravauxChimiquesdesPays-Bas,1895,vol.14,p.66]

[2]vanRomburgh[RecueildesTravauxChimiquesdesPays-Bas,1923,vol.42,p.805]

[3]vanRomburgh[RecueildesTravauxChimiquesdesPays-Bas,1923,vol.42,p.805]

[1]JournaloftheAmericanChemicalSociety,1955,vol.77,p.3128

[1]Arcos;Miller[JournaloftheAmericanChemicalSociety,1955,vol.77,p.3128]

[1]Kim,SuJeong;Kool,EricT.[JournaloftheAmericanChemicalSociety,2006,vol.128,#18,p.6164-6171]

[2]Sokolova,N.Yu.;Kuznetsov,V.A.;Garabadzhiu,A.V.;Ginzburg,L.F.;Dobrynin,Ya.V.;etal.[PharmaceuticalChemistryJournal,1990,vol.24,#1,p.40-42][Khimiko-FarmatsevticheskiiZhurnal,1990,vol.24,#1,p.31-33]

[3]Kuznetsov,V.A.;Garabadzhiu,A.V.;Ginzburg,O.F.[JournalofOrganicChemistryUSSR(EnglishTranslation),1987,vol.23,p.576-580][ZhurnalOrganicheskoiKhimii,1987,vol.23,#3,p.637-642]

[4]Sokolova,N.Yu.;Kuznetsov,V.A.;Garabadzhiu,A.V.;Sokolov,V.V.;Ginak,A.I.[JournalofOrganicChemistryUSSR(EnglishTranslation),1991,vol.27,#3.2,p.544-549][ZhurnalOrganicheskoiKhimii,1991,vol.27,#3,p.631-638]

[5]Cazaux,Louis;Faher,Mourad;Picard,Claude;Tisnes,Pierre[CanadianJournalofChemistry,1993,vol.71,#8,p.1236-1246]

[6]CurrentPatentAssignee:PFIZERINC-WO2008/75196,2008,A1Locationinpatent:Page/Pagecolumn104

[7]CurrentPatentAssignee:PETERMACCALLUMCANCERCENTER-WO2011/123890,2011,A1Locationinpatent:Page/Pagecolumn100

[8]Wei,Yongbiao;Zhang,Xin;Wang,Linlin;Liu,Ying;Bing,Tao;Liu,Xiangjun;Shangguan,Dihua[RSCAdvances,2015,vol.5,#93,p.75911-75917]

[9]Mao,Ruifeng;Shao,Jingwei;Zhu,Kongkai;Zhang,Yuanyuan;Ding,Hong;Zhang,Chenhua;Shi,Zhe;Jiang,Hualiang;Sun,Dequn;Duan,Wenhu;Luo,Cheng[JournalofMedicinalChemistry,2017,vol.60,#14,p.6289-6304]

[10]Zhou,Kaixiang;Yang,Fan;Li,Yuying;Chen,Yimin;Zhang,Xiaojun;Zhang,Jinming;Wang,Junfeng;Dai,Jiapei;Cai,Lisheng;Cui,Mengchao[MolecularPharmaceutics,2021,vol.18,#3,p.1176-1195]

Literature
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Additional Info:
SDS
Tags:20691-71-8 Molecular Formula|20691-71-8 MDL|20691-71-8 SMILES|20691-71-8 N1,N1-Dimethyl-4-nitrobenzene-1,3-diamine
Catalog No.: AA002IP7
20691-71-8,MFCD01320677
20691-71-8 | N1,N1-Dimethyl-4-nitrobenzene-1,3-diamine
Pack Size: 250mg
Purity: 95%
in stock
$144.00 $101.00
Pack Size: 1g
Purity: 95%
in stock
$230.00 $161.00
Pack Size: 5g
Purity: 95%
in stock
$525.00 $368.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002IP7
Chemical Name: N1,N1-Dimethyl-4-nitrobenzene-1,3-diamine
CAS Number: 20691-71-8
Molecular Formula: C8H11N3O2
Molecular Weight: 181.1918
MDL Number: MFCD01320677
SMILES: CN(c1ccc(c(c1)N)[N+](=O)[O-])C
Properties
Complexity: 190  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
Downstream Synthesis Route
108-86-1    20691-71-8    63019-99-8 

[1]Arcos;Miller[JournaloftheAmericanChemicalSociety,1955,vol.77,p.3128]

35998-95-9    20691-71-8 

[1]vanRomburgh[RecueildesTravauxChimiquesdesPays-Bas,1895,vol.14,p.66]

[2]vanRomburgh[RecueildesTravauxChimiquesdesPays-Bas,1923,vol.42,p.805]

[3]vanRomburgh[RecueildesTravauxChimiquesdesPays-Bas,1923,vol.42,p.805]

5228-61-5    506-59-2    20691-71-8 

[1]JournaloftheAmericanChemicalSociety,1955,vol.77,p.3128

2369-11-1    506-59-2    20691-71-8 

[1]Arcos;Miller[JournaloftheAmericanChemicalSociety,1955,vol.77,p.3128]

20691-71-8    85545-58-0 

[1]Kim,SuJeong;Kool,EricT.[JournaloftheAmericanChemicalSociety,2006,vol.128,#18,p.6164-6171]

[2]Sokolova,N.Yu.;Kuznetsov,V.A.;Garabadzhiu,A.V.;Ginzburg,L.F.;Dobrynin,Ya.V.;etal.[PharmaceuticalChemistryJournal,1990,vol.24,#1,p.40-42][Khimiko-FarmatsevticheskiiZhurnal,1990,vol.24,#1,p.31-33]

[3]Kuznetsov,V.A.;Garabadzhiu,A.V.;Ginzburg,O.F.[JournalofOrganicChemistryUSSR(EnglishTranslation),1987,vol.23,p.576-580][ZhurnalOrganicheskoiKhimii,1987,vol.23,#3,p.637-642]

[4]Sokolova,N.Yu.;Kuznetsov,V.A.;Garabadzhiu,A.V.;Sokolov,V.V.;Ginak,A.I.[JournalofOrganicChemistryUSSR(EnglishTranslation),1991,vol.27,#3.2,p.544-549][ZhurnalOrganicheskoiKhimii,1991,vol.27,#3,p.631-638]

[5]Cazaux,Louis;Faher,Mourad;Picard,Claude;Tisnes,Pierre[CanadianJournalofChemistry,1993,vol.71,#8,p.1236-1246]

[6]CurrentPatentAssignee:PFIZERINC-WO2008/75196,2008,A1Locationinpatent:Page/Pagecolumn104

[7]CurrentPatentAssignee:PETERMACCALLUMCANCERCENTER-WO2011/123890,2011,A1Locationinpatent:Page/Pagecolumn100

[8]Wei,Yongbiao;Zhang,Xin;Wang,Linlin;Liu,Ying;Bing,Tao;Liu,Xiangjun;Shangguan,Dihua[RSCAdvances,2015,vol.5,#93,p.75911-75917]

[9]Mao,Ruifeng;Shao,Jingwei;Zhu,Kongkai;Zhang,Yuanyuan;Ding,Hong;Zhang,Chenhua;Shi,Zhe;Jiang,Hualiang;Sun,Dequn;Duan,Wenhu;Luo,Cheng[JournalofMedicinalChemistry,2017,vol.60,#14,p.6289-6304]

[10]Zhou,Kaixiang;Yang,Fan;Li,Yuying;Chen,Yimin;Zhang,Xiaojun;Zhang,Jinming;Wang,Junfeng;Dai,Jiapei;Cai,Lisheng;Cui,Mengchao[MolecularPharmaceutics,2021,vol.18,#3,p.1176-1195]

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