Cas no 2347-38-8 (Benzoic acid,4-(dipropylamino)-3,5-dinitro-)
2347-38-8 structure
Product Name:Benzoic acid,4-(dipropylamino)-3,5-dinitro-
CAS No:2347-38-8
MF:C13H17N3O6
MW:311.290583372116
CID:267022
PubChem ID:478799
Update Time:2025-04-19
Benzoic acid,4-(dipropylamino)-3,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(dipropylamino)-3,5-dinitro-
- 4-(dipropylamino)-3,5-dinitrobenzoic acid
- AKOS003622776
- Z56763882
- SR-01000025858
- 2347-38-8
- DTXSID10178022
- Dipropylamino-dinitro-benzoic acid
- Benzoic acid, 4-(dipropylamino)-3,5-dinitro-
- Oprea1_110776
- SCHEMBL7826111
- 4-(dipropylamino)-3,5-dinitro-benzoic acid
- SR-01000025858-1
-
- Inchi： 1S/C13H17N3O6/c1-3-5-14(6-4-2)12-10(15(19)20)7-9(13(17)18)8-11(12)16(21)22/h7-8H,3-6H2,1-2H3,(H,17,18)
- InChI Key： XTHSJCATZGIZLX-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C(=O)O)C=C(C=1N(CCC)CCC)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 311.11181
- Monoisotopic Mass: 311.111735
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 389
- 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: 3.8
- Topological Polar Surface Area: 132
Experimental Properties
- Density: 1.355
- Boiling Point: 461.1°Cat760mmHg
- Flash Point: 232.7°C
- Refractive Index: 1.605
- PSA: 126.82
Benzoic acid,4-(dipropylamino)-3,5-dinitro- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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