Cas no 13059-84-2 (Benzenamine, 2,4-dinitro-N-propyl-)
13059-84-2 structure
Product Name:Benzenamine, 2,4-dinitro-N-propyl-
CAS No:13059-84-2
MF:C9H11N3O4
MW:225.201341867447
CID:1226169
PubChem ID:607353
Update Time:2025-04-20
Benzenamine, 2,4-dinitro-N-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2,4-dinitro-N-propyl-
- N-(2,4-dinitrophenyl)-n-propylamine
- N-Propyl-2,4-dinitroaniline
- 2,4-Dinitro-N-propylaniline
- N-Propyl-2,4-dinitrobenzenamine
- Q63395483
- 2,4-Dinitro-n-propylaniline #
- Oprea1_704320
- 13059-84-2
- CHEMBL218588
- SCHEMBL14063303
- MFCD00450207
- DTXSID001347811
- VTYSAZUSTIWCND-UHFFFAOYSA-N
- N-(n-propyl)-2,4-dinitroaniline
- Aniline, 2,4-dinitro-N-propyl-
- AE-641/30106004
- AKOS008926693
-
- Inchi： 1S/C9H11N3O4/c1-2-5-10-8-4-3-7(11(13)14)6-9(8)12(15)16/h3-4,6,10H,2,5H2,1H3
- InChI Key： VTYSAZUSTIWCND-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=CC=1NCCC)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 225.07503
- Monoisotopic Mass: 225.07495584g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 261
- 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: 104?2
Experimental Properties
- PSA: 98.31
Benzenamine, 2,4-dinitro-N-propyl- Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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