Cas no 83488-03-3 (Phenol,2-amino-4-(2,2-dimethylpropyl)-6-nitro-)
83488-03-3 structure
Product Name:Phenol,2-amino-4-(2,2-dimethylpropyl)-6-nitro-
CAS No:83488-03-3
MF:C11H16N2O3
MW:224.256342887878
CID:730134
PubChem ID:5743752
Update Time:2025-04-19
Phenol,2-amino-4-(2,2-dimethylpropyl)-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2-amino-4-(2,2-dimethylpropyl)-6-nitro-
- 2-amino-4-(2,2-dimethylpropyl)-6-nitrophenol
- 2-amino-6-nitro-4-neopentylphenol
- 83488-03-3
- EINECS 280-466-1
- NS00058764
- DTXSID301003474
-
- Inchi： 1S/C11H16N2O3/c1-11(2,3)6-7-4-8(12)10(14)9(5-7)13(15)16/h4-5,14H,6,12H2,1-3H3
- InChI Key： NVKBPXZFYMDQOR-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1[N+](=O)[O-])CC(C)(C)C)N
Computed Properties
- Exact Mass: 224.11609238g/mol
- Monoisotopic Mass: 224.11609238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 257
- 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: 3.3
- Topological Polar Surface Area: 92.1?2
Phenol,2-amino-4-(2,2-dimethylpropyl)-6-nitro- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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