Cas no 29606-02-8 (Guanidine, N'-methyl-N-nitro-N-nitroso-)
29606-02-8 structure
Product Name:Guanidine, N'-methyl-N-nitro-N-nitroso-
CAS No:29606-02-8
MF:C2H5N5O3
MW:147.092798948288
CID:238062
PubChem ID:11629628
Update Time:2025-04-19
Guanidine, N'-methyl-N-nitro-N-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- Guanidine, N'-methyl-N-nitro-N-nitroso-
- 2-methyl-1-nitro-1-nitrosoguanidine
- n-methyl-n'-nitro-n'-nitrosoguanidine
- DTXSID00469678
- AKOS006359664
- 29606-02-8
- SCHEMBL49441
-
- Inchi： 1S/C2H5N5O3/c1-4-2(3)6(5-8)7(9)10/h1H3,(H2,3,4)
- InChI Key： ZVGCIMVMXFUSDB-UHFFFAOYSA-N
- SMILES： [O-][N+](N(/C(/N)=N/C)N=O)=O
Computed Properties
- Exact Mass: 147.03935
- Monoisotopic Mass: 147.03923904g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 170
- 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: -0.3
- Topological Polar Surface Area: 117?2
Experimental Properties
- PSA: 111.69
Guanidine, N'-methyl-N-nitro-N-nitroso- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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