Cas no 56809-13-3 (9-Acridinamine, N-methyl-2-nitro-)
56809-13-3 structure
Product Name:9-Acridinamine, N-methyl-2-nitro-
CAS No:56809-13-3
MF:C14H11N3O2
MW:253.256042718887
CID:347785
PubChem ID:12224344
Update Time:2025-04-19
9-Acridinamine, N-methyl-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 9-Acridinamine, N-methyl-2-nitro-
- N-methyl-2-nitroacridin-9-amine
- DTXSID80481232
- 56809-13-3
- 9-methylamino-7-nitroacridine
-
- Inchi： 1S/C14H11N3O2/c1-15-14-10-4-2-3-5-12(10)16-13-7-6-9(17(18)19)8-11(13)14/h2-8H,1H3,(H,15,16)
- InChI Key： NNTRXZYGSOHGKB-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2C(C=1)=C(C1C=CC=CC=1N=2)NC)=O
Computed Properties
- Exact Mass: 253.08523
- Monoisotopic Mass: 253.085126602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 344
- 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: 70.7?2
Experimental Properties
- PSA: 68.06
9-Acridinamine, N-methyl-2-nitro- Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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