Cas no 48028-69-9 (N-Ethylidyne-2-methylpropan-2-aminium)
48028-69-9 structure
Product Name:N-Ethylidyne-2-methylpropan-2-aminium
CAS No:48028-69-9
MF:C6H12N
MW:98.1661815643311
CID:2695978
PubChem ID:13788755
Update Time:2025-04-21
N-Ethylidyne-2-methylpropan-2-aminium Chemical and Physical Properties
Names and Identifiers
-
- N-tert-butylacetonitrilium
- N-Ethylidyne-2-methylpropan-2-aminium
- DTXCID90500261
- DTXSID30549477
- 48028-69-9
-
- Inchi： 1S/C6H12N/c1-5-7-6(2,3)4/h1-4H3/q+1
- InChI Key： XSMVEMICVCFCJA-UHFFFAOYSA-N
- SMILES： [N+](#CC)C(C)(C)C
Computed Properties
- Exact Mass: 98.096974387Da
- Monoisotopic Mass: 98.096974387Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 105
- 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: 0.8
- Topological Polar Surface Area: 4.4?2
N-Ethylidyne-2-methylpropan-2-aminium Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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