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2788-74-1,MFCD00546760
Catalog No.:AA00C15Y

2788-74-1 | 4-(Ethylamino)-3-nitrobenzoic acid

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C15Y
Chemical Name:
4-(Ethylamino)-3-nitrobenzoic acid
CAS Number:
2788-74-1
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD00546760
SMILES:
CCNc1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
Properties
 
BP:
399.4°C at 760 mmHg  
Form:
Solid  
MP:
239-240℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Chen,Haifeng;Ren,Yujie[ArchivderPharmazie,2015,vol.348,#6,p.408-420]

[2]Ren,Weixin;Ren,Yujie;Wang,Shuai[EuropeanJournalofMedicinalChemistry,2016,vol.120,p.148-159]

[3]Wang,Fei;Ren,Yu-Jie[JournaloftheIranianChemicalSociety,2016,vol.13,#6,p.1155-1166]

[4]Wang,Fei;Ren,Yu-Jie;Dong,Ming-Hui[BioorganicandMedicinalChemistry,2016,vol.24,#12,p.2739-2753]

[5]Li,Meilin;Ren,Yujie[ArchivderPharmazie,2015,vol.348,#5,p.353-365]

[6]Li,ChunLei;Ren,YuJie[ResearchonChemicalIntermediates,2016,vol.42,#2,p.735-752]

[7]Huang,Shanshan;Ren;Peng,Xiuxiu;Qian,Pingping;Meng,Lingwei[EuropeanJournalofPharmaceuticalSciences,2019,vol.137]

[1]Chang,Kang;Chen,Jian-Qin;Shi,Yan-Xia;Sun,Mei-Jian;Li,Peng-Fei;Zhao,Zhen-Jiang;Zhu,Wei-Ping;Li,Hong-Lin;Xu,Yu-Fang;Li,Bao-Ju;Qian,Xu-Hong[ChineseChemicalLetters,2017,vol.28,#4,p.919-926]

[1]Chang,Kang;Chen,Jian-Qin;Shi,Yan-Xia;Sun,Mei-Jian;Li,Peng-Fei;Zhao,Zhen-Jiang;Zhu,Wei-Ping;Li,Hong-Lin;Xu,Yu-Fang;Li,Bao-Ju;Qian,Xu-Hong[ChineseChemicalLetters,2017,vol.28,#4,p.919-926]

[1]Chang,Kang;Chen,Jian-Qin;Shi,Yan-Xia;Sun,Mei-Jian;Li,Peng-Fei;Zhao,Zhen-Jiang;Zhu,Wei-Ping;Li,Hong-Lin;Xu,Yu-Fang;Li,Bao-Ju;Qian,Xu-Hong[ChineseChemicalLetters,2017,vol.28,#4,p.919-926]

Literature

Title: 4-Ethyl-amino-3-nitro-benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20090501

Title: 3-Nitro-4-amino benzoic acids and 6-amino nicotinic acids are highly selective agonists of GPR109b.

Journal: Bioorganic & medicinal chemistry letters 20071201

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SDS
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Tags:2788-74-1 Molecular Formula|2788-74-1 MDL|2788-74-1 SMILES|2788-74-1 4-(Ethylamino)-3-nitrobenzoic acid
Catalog No.: AA00C15Y
2788-74-1,MFCD00546760
2788-74-1 | 4-(Ethylamino)-3-nitrobenzoic acid
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00C15Y
Chemical Name: 4-(Ethylamino)-3-nitrobenzoic acid
CAS Number: 2788-74-1
Molecular Formula: C9H10N2O4
Molecular Weight: 210.1867
MDL Number: MFCD00546760
SMILES: CCNc1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
BP: 399.4°C at 760 mmHg  
Form: Solid  
MP: 239-240℃  
Storage: Keep in dry area;2-8℃;  
Complexity: 251  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Downstream Synthesis Route
75-04-7    96-99-1    2788-74-1 

[1]Chen,Haifeng;Ren,Yujie[ArchivderPharmazie,2015,vol.348,#6,p.408-420]

[2]Ren,Weixin;Ren,Yujie;Wang,Shuai[EuropeanJournalofMedicinalChemistry,2016,vol.120,p.148-159]

[3]Wang,Fei;Ren,Yu-Jie[JournaloftheIranianChemicalSociety,2016,vol.13,#6,p.1155-1166]

[4]Wang,Fei;Ren,Yu-Jie;Dong,Ming-Hui[BioorganicandMedicinalChemistry,2016,vol.24,#12,p.2739-2753]

[5]Li,Meilin;Ren,Yujie[ArchivderPharmazie,2015,vol.348,#5,p.353-365]

[6]Li,ChunLei;Ren,YuJie[ResearchonChemicalIntermediates,2016,vol.42,#2,p.735-752]

[7]Huang,Shanshan;Ren;Peng,Xiuxiu;Qian,Pingping;Meng,Lingwei[EuropeanJournalofPharmaceuticalSciences,2019,vol.137]

67-56-1    2788-74-1    396652-42-9 

[1]Chang,Kang;Chen,Jian-Qin;Shi,Yan-Xia;Sun,Mei-Jian;Li,Peng-Fei;Zhao,Zhen-Jiang;Zhu,Wei-Ping;Li,Hong-Lin;Xu,Yu-Fang;Li,Bao-Ju;Qian,Xu-Hong[ChineseChemicalLetters,2017,vol.28,#4,p.919-926]

2788-74-1    343942-49-4 

[1]Chang,Kang;Chen,Jian-Qin;Shi,Yan-Xia;Sun,Mei-Jian;Li,Peng-Fei;Zhao,Zhen-Jiang;Zhu,Wei-Ping;Li,Hong-Lin;Xu,Yu-Fang;Li,Bao-Ju;Qian,Xu-Hong[ChineseChemicalLetters,2017,vol.28,#4,p.919-926]

2788-74-1    1354407-23-0 

[1]Chang,Kang;Chen,Jian-Qin;Shi,Yan-Xia;Sun,Mei-Jian;Li,Peng-Fei;Zhao,Zhen-Jiang;Zhu,Wei-Ping;Li,Hong-Lin;Xu,Yu-Fang;Li,Bao-Ju;Qian,Xu-Hong[ChineseChemicalLetters,2017,vol.28,#4,p.919-926]

Literature fold

Title: 4-Ethyl-amino-3-nitro-benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online20090501

Title: 3-Nitro-4-amino benzoic acids and 6-amino nicotinic acids are highly selective agonists of GPR109b.

Journal: Bioorganic & medicinal chemistry letters20071201

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Historical Records
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500878-96-6
500878-96-6
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