Cas no 54338-43-1 ( )
structure
Product Name:
CAS No:54338-43-1
MF:C9H9N3O5
MW:239.184861898422
CID:940750
PubChem ID:302878
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- Propionsaeure-(3,5-dinitro-anilid); AC1L71HV; propionic acid-(3,5-dinitro-anilide); 3,5-Dinitro-N-propionyl-anilin; NSC190619; 3',5'-Dinitro-propionanilid; 3',5'-dinitropropionanilide;
- 54338-43-1
- NSC-190619
- N-(3,5-dinitrophenyl)propanamide
- DTXSID90307277
- NSC190619
-
-
- Inchi： 1S/C9H9N3O5/c1-2-9(13)10-6-3-7(11(14)15)5-8(4-6)12(16)17/h3-5H,2H2,1H3,(H,10,13)
- InChI Key： GLTFQIXQKGAJST-UHFFFAOYSA-N
- SMILES： O=C(CC)NC1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 239.05427
- Monoisotopic Mass: 239.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 300
- 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: 1.2
- Topological Polar Surface Area: 121?2
Experimental Properties
- Density: 1.47
- Boiling Point: 426.6°C at 760 mmHg
- Flash Point: 211.8°C
- Refractive Index: 1.634
- PSA: 115.38
Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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2. 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
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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