Cas no 33624-86-1 (Methanaminium, N-(4-imino-2,5-cyclohexadien-1-ylidene)-N-methyl-)
33624-86-1 structure
Product Name:Methanaminium, N-(4-imino-2,5-cyclohexadien-1-ylidene)-N-methyl-
CAS No:33624-86-1
MF:C8H11N2
MW:135.186341524124
CID:292709
PubChem ID:54531807
Update Time:2025-04-19
Methanaminium, N-(4-imino-2,5-cyclohexadien-1-ylidene)-N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanaminium, N-(4-imino-2,5-cyclohexadien-1-ylidene)-N-methyl-
- (4-iminocyclohexa-2,5-dien-1-ylidene)-dimethylazanium
- 4-Imino-N,N-dimethylcyclohexa-2,5-dien-1-iminium
- 33624-86-1
- DTXSID00712010
-
- Inchi： 1S/C8H11N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6,9H,1-2H3/q+1
- InChI Key： YXBRSYBKYPDUME-UHFFFAOYSA-N
- SMILES： [N+](/C)(\C)=C1\C=CC(C=C\1)=N
Computed Properties
- Exact Mass: 135.09233
- Monoisotopic Mass: 135.092
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 222
- 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: 26.9A^2
- XLogP3: 0.2
Experimental Properties
- PSA: 26.86
Methanaminium, N-(4-imino-2,5-cyclohexadien-1-ylidene)-N-methyl- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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