Cas no 449747-92-6 (1,3-Benzenediamine,2-methyl-5-nitro-, labeled with carbon-14 (9CI))
449747-92-6 structure
Product Name:1,3-Benzenediamine,2-methyl-5-nitro-, labeled with carbon-14 (9CI)
CAS No:449747-92-6
MF:C7H9N3O2
MW:167.165261030197
CID:327721
Update Time:2024-01-28
1,3-Benzenediamine,2-methyl-5-nitro-, labeled with carbon-14 (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzenediamine,2-methyl-5-nitro-, labeled with carbon-14 (9CI)
- 1,3-Benzenediamine, 2-methyl-5-nitro-, labeled with carbon-14 (9CI)
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- Inchi： 1S/C7H9N3O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,8-9H2,1H3
- InChI Key： SPOWAUDUGZVURQ-UHFFFAOYSA-N
- SMILES： C1(N)=CC([N+]([O-])=O)=CC(N)=C1C
Computed Properties
- Exact Mass: 167.069
- Monoisotopic Mass: 167.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 168
- 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: 97.9A^2
Experimental Properties
- Density: 1.369
- Boiling Point: 432.5°C at 760 mmHg
- Flash Point: 215.4°C
- Refractive Index: 1.679
1,3-Benzenediamine,2-methyl-5-nitro-, labeled with carbon-14 (9CI) Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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