Cas no 92335-67-6 (1H-Benzimidazol-4-amine,2-methyl-7-nitro-)
92335-67-6 structure
Product Name:1H-Benzimidazol-4-amine,2-methyl-7-nitro-
CAS No:92335-67-6
MF:C8H8N4O2
MW:192.17472076416
CID:800642
Update Time:2024-02-01
1H-Benzimidazol-4-amine,2-methyl-7-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazol-4-amine,2-methyl-7-nitro-
- Benzimidazole, 4(or 7)-amino-2-methyl-7(or 4)-nitro- (7CI)
- 1H-Benzimidazol-4-amine, 2-methyl-7-nitro-
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- Inchi： 1S/C8H8N4O2/c1-4-10-7-5(9)2-3-6(12(13)14)8(7)11-4/h2-3H,9H2,1H3,(H,10,11)
- InChI Key： ZBGYKWWMKPBMGM-UHFFFAOYSA-N
- SMILES： C1(C)NC2=C([N+]([O-])=O)C=CC(N)=C2N=1
Computed Properties
- Exact Mass: 192.065
- Monoisotopic Mass: 192.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 242
- 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
- Topological Polar Surface Area: 101A^2
Experimental Properties
- Density: 1.531±0.06 g/cm3(Predicted)
- Melting Point: 291-293 °C(Solv: water (7732-18-5))
- Boiling Point: 587.8±30.0 °C(Predicted)
- pka: 9.61±0.30(Predicted)
1H-Benzimidazol-4-amine,2-methyl-7-nitro- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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