Cas no 54718-72-8 (Benzenamine, 2,4-dinitro-N,N-dipropyl-)
54718-72-8 structure
Product Name:Benzenamine, 2,4-dinitro-N,N-dipropyl-
CAS No:54718-72-8
MF:C12H17N3O4
MW:267.281082868576
CID:353859
PubChem ID:15758070
Update Time:2025-04-19
Benzenamine, 2,4-dinitro-N,N-dipropyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2,4-dinitro-N,N-dipropyl-
- 2,4-dinitro-N,N-dipropylaniline
- Q63398300
- N,N-Dipropyl-2,4-dinitrobenzenamine
- Z1192068171
- N,N-dipropyl-2,4-dinitroaniline
- OFXCRXLTJJLOIB-UHFFFAOYSA-N
- 54718-72-8
- DTXSID60578038
- (2,4-Dinitro-phenyl)-dipropyl-amine
- SCHEMBL6395129
-
- Inchi： 1S/C12H17N3O4/c1-3-7-13(8-4-2)11-6-5-10(14(16)17)9-12(11)15(18)19/h5-6,9H,3-4,7-8H2,1-2H3
- InChI Key： OFXCRXLTJJLOIB-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=CC=1N(CCC)CCC)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 267.12201
- Monoisotopic Mass: 267.12190603g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 307
- 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: 94.9?2
Experimental Properties
- PSA: 89.52
Benzenamine, 2,4-dinitro-N,N-dipropyl- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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