Cas no 61390-98-5 (Benzenemethanaminium, 4-amino-N,N,N-trimethyl-2-nitro-, bromide)
61390-98-5 structure
Product Name:Benzenemethanaminium, 4-amino-N,N,N-trimethyl-2-nitro-, bromide
CAS No:61390-98-5
MF:C10H16BrN3O2
MW:290.156941413879
CID:481120
PubChem ID:71396228
Update Time:2025-04-19
Benzenemethanaminium, 4-amino-N,N,N-trimethyl-2-nitro-, bromide Chemical and Physical Properties
Names and Identifiers
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- Benzenemethanaminium, 4-amino-N,N,N-trimethyl-2-nitro-, bromide
- (4-amino-2-nitrophenyl)methyl-trimethylazanium,bromide
- (4-Amino-2-nitrophenyl)-N,N,N-trimethylmethanaminium bromide
- DTXSID90817806
- 61390-98-5
-
- Inchi： 1S/C10H16N3O2.BrH/c1-13(2,3)7-8-4-5-9(11)6-10(8)12(14)15;/h4-6H,7,11H2,1-3H3;1H/q+1;/p-1
- InChI Key： BLSXBPWFLMSODD-UHFFFAOYSA-M
- SMILES： [Br-].[O-][N+](C1C=C(C=CC=1C[N+](C)(C)C)N)=O
Computed Properties
- Exact Mass: 272.9174
- Monoisotopic Mass: 289.04259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 232
- 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: 71.8?2
Experimental Properties
- PSA: 65.44
Benzenemethanaminium, 4-amino-N,N,N-trimethyl-2-nitro-, bromide Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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