Cas no 57883-31-5 (Quinoline, 1,2,3,4-tetrahydro-5,7-dinitro-1-propyl-)
57883-31-5 structure
Product Name:Quinoline, 1,2,3,4-tetrahydro-5,7-dinitro-1-propyl-
CAS No:57883-31-5
MF:C12H15N3O4
MW:265.265202760696
CID:343879
PubChem ID:12288372
Update Time:2025-04-19
Quinoline, 1,2,3,4-tetrahydro-5,7-dinitro-1-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 1,2,3,4-tetrahydro-5,7-dinitro-1-propyl-
- 5,7-dinitro-1-propyl-3,4-dihydro-2H-quinoline
- DTXSID70484696
- 57883-31-5
-
- Inchi： 1S/C12H15N3O4/c1-2-5-13-6-3-4-10-11(13)7-9(14(16)17)8-12(10)15(18)19/h7-8H,2-6H2,1H3
- InChI Key： BKHUCBXKNFOMFP-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC(=CC2=C1CCCN2CCC)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 265.10635
- Monoisotopic Mass: 265.10625597g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 352
- 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
- Topological Polar Surface Area: 94.9?2
Experimental Properties
- PSA: 89.52
Quinoline, 1,2,3,4-tetrahydro-5,7-dinitro-1-propyl- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Jason Wan Lab Chip, 2020,20, 4528-4538
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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