Cas no 10308-90-4 (1,2-Ethanediamine,N1-methyl-N1,N2-dinitro-)
10308-90-4 structure
Product Name:1,2-Ethanediamine,N1-methyl-N1,N2-dinitro-
CAS No:10308-90-4
MF:C3H8N4O4
MW:164.12001991272
CID:134778
Update Time:2024-01-25
1,2-Ethanediamine,N1-methyl-N1,N2-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediamine,N1-methyl-N1,N2-dinitro-
- N-methyl-N,N'-dinitroethylenediamine
- 1,2-Ethanediamine,N-methyl-N,N'-dinitro- (9CI)
- Ethylenediamine, N-methyl-N,N'-dinitro-(6CI,8CI)
- N,N-dinitro-N-methyl-1,2-diaminoethane
-
- Inchi： 1S/C3H8N4O4/c1-5(7(10)11)3-2-4-6(8)9/h4H,2-3H2,1H3
- InChI Key： NURVQTMUNFEYRD-UHFFFAOYSA-N
- SMILES： C(N[N+]([O-])=O)CN([N+]([O-])=O)C
Computed Properties
- Exact Mass: 164.05464
- Monoisotopic Mass: 166.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 159
- 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: 95.9A^2
Experimental Properties
- Density: 1.6598 (rough estimate)
- Melting Point: 121.15°C
- Boiling Point: 291.56°C (rough estimate)
- Refractive Index: 1.8010 (estimate)
- PSA: 101.55
- LogP: 0.32850
1,2-Ethanediamine,N1-methyl-N1,N2-dinitro- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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