Cas no 117746-95-9 (1H-Imidazo[4,5-f]quinazolin-2-amine(9CI))
![1H-Imidazo[4,5-f]quinazolin-2-amine(9CI) structure](https://ossimg.kuujia.com/scimg/118000/117746-95-9x500.png)
117746-95-9 structure
Product Name:1H-Imidazo[4,5-f]quinazolin-2-amine(9CI)
CAS No:117746-95-9
MF:C9H7N5
MW:185.185380220413
CID:131606
PubChem ID:45078138
Update Time:2025-04-19
1H-Imidazo[4,5-f]quinazolin-2-amine(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazo[4,5-f]quinazolin-2-amine(9CI)
- 1H-Imidazo[4,5-f]quinazolin-2-amine
- 3H-imidazo[4,5-f]quinazolin-2-amine
- 117746-95-9
- DTXSID20663459
-
- Inchi： 1S/C9H7N5/c10-9-13-7-2-1-6-5(8(7)14-9)3-11-4-12-6/h1-4H,(H3,10,13,14)
- InChI Key： ABFXVKPRVUUZBT-UHFFFAOYSA-N
- SMILES： N1C(N)=NC2C3C=NC=NC=3C=CC1=2
Computed Properties
- Exact Mass: 185.07031
- Monoisotopic Mass: 185.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 221
- 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
- Topological Polar Surface Area: 80.5A^2
- XLogP3: 0.8
Experimental Properties
- PSA: 80.48
1H-Imidazo[4,5-f]quinazolin-2-amine(9CI) Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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