Cas no 61313-42-6 (Benzonitrile, 3,4-diamino-5-nitro-)
61313-42-6 structure
Product Name:Benzonitrile, 3,4-diamino-5-nitro-
CAS No:61313-42-6
MF:C7H6N4O2
MW:178.14814043045
CID:484567
PubChem ID:21217846
Update Time:2025-04-19
Benzonitrile, 3,4-diamino-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3,4-diamino-5-nitro-
- 3,4-diamino-5-nitrobenzonitrile
- SLKNLEPONRUFSK-UHFFFAOYSA-N
- 61313-42-6
- SCHEMBL8409874
- DTXSID80611416
- AKOS006307658
-
- Inchi： 1S/C7H6N4O2/c8-3-4-1-5(9)7(10)6(2-4)11(12)13/h1-2H,9-10H2
- InChI Key： SLKNLEPONRUFSK-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C#N)C=C(C=1N)N)=O
Computed Properties
- Exact Mass: 178.04918
- Monoisotopic Mass: 178.04907545g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 122?2
Experimental Properties
- PSA: 118.97
Benzonitrile, 3,4-diamino-5-nitro- Related Literature
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Danlei Xiang Nanoscale, 2021,13, 5497-5506
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5. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
61313-42-6 (Benzonitrile, 3,4-diamino-5-nitro-) Related Products
- 12402-46-9(3-NITROBENZONITRILE)
- 10406-92-5(3-Amino-5-nitrobenzonitrile)
- 4110-35-4(3,5-Dinitrobenzonitrile)
- 4248-33-3(3,4-Dinitrobenzonitrile)
- 6393-40-4(4-Amino-3-nitrobenzonitrile)
- 619-24-9(3-Nitrobenzonitrile)
- 124289-22-1(3-Methyl-5-nitrobenzonitrile)
- 6393-42-6(2,6-Dinitro-4-methylaniline)
- 79319-38-3(4-Amino-5-nitrophthalonitrile)
- 99512-10-4(3-amino-4-nitro-benzonitrile)
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