Cas no 64574-28-3 (2-Naphthalenamine, 1,8-dinitro-)
64574-28-3 structure
Product Name:2-Naphthalenamine, 1,8-dinitro-
CAS No:64574-28-3
MF:C10H7N3O4
MW:233.180281877518
CID:422700
PubChem ID:12367773
Update Time:2025-04-19
2-Naphthalenamine, 1,8-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenamine, 1,8-dinitro-
- 1,8-dinitronaphthalen-2-amine
- SCHEMBL8691502
- 64574-28-3
- DTXSID90494636
-
- Inchi： 1S/C10H7N3O4/c11-7-5-4-6-2-1-3-8(12(14)15)9(6)10(7)13(16)17/h1-5H,11H2
- InChI Key： FBIPALUREOLRHN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(=CC=C2C=CC=C(C2=1)[N+](=O)[O-])N)=O
Computed Properties
- Exact Mass: 233.04371
- Monoisotopic Mass: 233.04365571g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 325
- 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: 2.7
- Topological Polar Surface Area: 118?2
Experimental Properties
- PSA: 112.3
2-Naphthalenamine, 1,8-dinitro- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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