Cas no 107342-67-6 (Benzenamine,2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-)
107342-67-6 structure
Product Name:Benzenamine,2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-
CAS No:107342-67-6
MF:C12H17N3O4
MW:267.281082868576
CID:165323
PubChem ID:184816
Update Time:2025-04-19
Benzenamine,2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-
- 2-AMINO-1-TERT-BUTYL-3,5-DIMETHYL-4,6-DINITROBENZENE
- 2-tert-butyl-4,6-dimethyl-3,5-dinitroaniline
- 1-amino-2-tert-butyl-4,6-dimethyl-3,5-dinitrobenzene
- 1-tert-butyl-3,5-dimethyl-2-amino-4,6-dinitrobenzene
- 2-amino-musk xylene
- 2-NH2-musk xylene
- 2-tert-butyl-4,6-dimethyl-3,5-dinitro-aniline
- AC1L4FMQ
- AC1Q1YAJ
- ACMC-1BUGN
- AG-J-29095
- AR-1E5479
- CTK4A5386
- ortho-amino-musk xylene
- 107342-67-6
- para-Amino-dinitro-musk xylene
- Benzenamine, 2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro-
- DTXSID60148018
- 1-amino-2-t-butyl-4,6-dimethyl-3,5-dinitrobenzene
-
- Inchi： 1S/C12H17N3O4/c1-6-9(13)8(12(3,4)5)11(15(18)19)7(2)10(6)14(16)17/h13H2,1-5H3
- InChI Key： UXBYFHLORKKOAX-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(C)=C(C(C)=C(C=1C(C)(C)C)N)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 267.12201
- Monoisotopic Mass: 267.121906
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 369
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.3
- Topological Polar Surface Area: 118
Experimental Properties
- Density: 1.245
- Boiling Point: 413.1°Cat760mmHg
- Flash Point: 203.6°C
- Refractive Index: 1.581
- PSA: 112.3
- LogP: 4.62710
Benzenamine,2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitro- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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