Cas no 34052-41-0 ( )
structure
Product Name:
CAS No:34052-41-0
MF:C8H12ClN3O2
MW:217.652780532837
CID:918724
PubChem ID:24193692
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- trimethyl-(5-nitropyridin-2-yl)azanium,chloride
- NSC156112
- NSC-156112
- DTXSID70638394
- 34052-41-0
- N,N,N-Trimethyl-5-nitropyridin-2-aminium chloride
-
-
- Inchi: 1S/C8H12N3O2.ClH/c1-11(2,3)8-5-4-7(6-9-8)10(12)13;/h4-6H,1-3H3;1H/q+1;/p-1
- InChI Key: CAGURKGQIGMVLP-UHFFFAOYSA-M
- SMILES: [Cl-].[O-][N+](C1=CN=C(C=C1)[N+](C)(C)C)=O
Computed Properties
- Exact Mass: 217.06200
- Monoisotopic Mass: 217.0618043g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 195
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 58.7?2
Experimental Properties
- PSA: 58.71000
- LogP: -1.28630
Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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