Cas no 13059-89-7 (Benzenamine,N-(1,1-dimethylethyl)-2,4-dinitro-)
13059-89-7 structure
Product Name:Benzenamine,N-(1,1-dimethylethyl)-2,4-dinitro-
CAS No:13059-89-7
MF:C10H13N3O4
MW:239.227922201157
CID:231988
PubChem ID:260940
Update Time:2025-04-19
Benzenamine,N-(1,1-dimethylethyl)-2,4-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,N-(1,1-dimethylethyl)-2,4-dinitro-
- N-tert-Butyl-2,4-dinitroaniline
- NSC92782
- Q63392350
- N-TERT-BUTYL-2,4-DINITROBENZENAMINE
- TERT-BUTYL-(2,4-DINITRO-PHENYL)-AMINE
- AKOS002844092
- N-(2,4-dinitrophenyl)-t-butylamine
- 13059-89-7
- DTXSID10293880
- SCHEMBL15257085
- NSC-92782
-
- Inchi： 1S/C10H13N3O4/c1-10(2,3)11-8-5-4-7(12(14)15)6-9(8)13(16)17/h4-6,11H,1-3H3
- InChI Key： CLAAAWAMIUWEGS-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=CC=1NC(C)(C)C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 239.09069
- Monoisotopic Mass: 239.090606
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 302
- 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: 3.2
- Topological Polar Surface Area: 104
Experimental Properties
- Density: 1.313
- Boiling Point: 370.1°Cat760mmHg
- Flash Point: 177.6°C
- Refractive Index: 1.606
- PSA: 98.31
Benzenamine,N-(1,1-dimethylethyl)-2,4-dinitro- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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