Cas no 88072-67-7 (Benzenemethanaminium, N,N,N-triethyl-4-nitro-)
88072-67-7 structure
Product Name:Benzenemethanaminium, N,N,N-triethyl-4-nitro-
CAS No:88072-67-7
MF:C13H21N2O2
MW:237.318043470383
CID:646211
PubChem ID:13139181
Update Time:2025-04-19
Benzenemethanaminium, N,N,N-triethyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanaminium, N,N,N-triethyl-4-nitro-
- triethyl-[(4-nitrophenyl)methyl]azanium
- N,N-Diethyl-N-[(4-nitrophenyl)methyl]ethanaminium
- 88072-67-7
- DTXSID30521071
-
- Inchi： 1S/C13H21N2O2/c1-4-15(5-2,6-3)11-12-7-9-13(10-8-12)14(16)17/h7-10H,4-6,11H2,1-3H3/q+1
- InChI Key： JEEVKSRRRJVMTA-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)C[N+](CC)(CC)CC)=O
Computed Properties
- Exact Mass: 237.160302917g/mol
- Monoisotopic Mass: 237.160302917g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 230
- 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: 3.1
- Topological Polar Surface Area: 45.8?2
Benzenemethanaminium, N,N,N-triethyl-4-nitro- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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