Cas no 56269-49-9 (Benzenamine, N-butyl-N-methyl-4-nitro-)
56269-49-9 structure
Product Name:Benzenamine, N-butyl-N-methyl-4-nitro-
CAS No:56269-49-9
MF:C11H16N2O2
MW:208.256942749023
CID:349360
PubChem ID:3547882
Update Time:2025-04-19
Benzenamine, N-butyl-N-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, N-butyl-N-methyl-4-nitro-
- N-butyl-N-methyl-4-nitroaniline
- DTXSID30393533
- Oprea1_771764
- SCHEMBL6712476
- SMR000224785
- 56269-49-9
- HMS2510B21
- AKOS008568513
- MLS000698377
- CHEMBL1575740
- AE-562/12222436
-
- Inchi： 1S/C11H16N2O2/c1-3-4-9-12(2)10-5-7-11(8-6-10)13(14)15/h5-8H,3-4,9H2,1-2H3
- InChI Key： MITUDHRPTJOEPE-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)N(C)CCCC)=O
Computed Properties
- Exact Mass: 208.12128
- Monoisotopic Mass: 208.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 195
- 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: 3.5
- Topological Polar Surface Area: 49.1?2
Experimental Properties
- PSA: 46.38
Benzenamine, N-butyl-N-methyl-4-nitro- Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
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
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
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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