Cas no 93990-76-2 (1,4,6-Triethyl-1,4-dimethyl-5,7-dinitro-1,2,3,4-tetrahydronaphthalene)
93990-76-2 structure
Product Name:1,4,6-Triethyl-1,4-dimethyl-5,7-dinitro-1,2,3,4-tetrahydronaphthalene
CAS No:93990-76-2
MF:C18H26N2O4
MW:334.410045146942
CID:1000519
PubChem ID:230985
Update Time:2025-04-20
1,4,6-Triethyl-1,4-dimethyl-5,7-dinitro-1,2,3,4-tetrahydronaphthalene Chemical and Physical Properties
Names and Identifiers
-
- 1,4,6-triethyl-1,4-dimethyl-5,7-dinitro-2,3-dihydronaphthalene
- DTXSID60282547
- NSC26443
- 1,4,6-triethyl-1,4-dimethyl-5,7-dinitro-1,2,3,4-tetrahydronaphthalene
- 93990-76-2
- NSC-26443
- 1,4,6-Triethyl-1,4-dimethyl-5,7-dinitro-1,2,3,4-tetrahydronaphthalene
-
- Inchi： 1S/C18H26N2O4/c1-6-12-14(19(21)22)11-13-15(16(12)20(23)24)18(5,8-3)10-9-17(13,4)7-2/h11H,6-10H2,1-5H3
- InChI Key： HWDSSJJCRXPONG-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C(CC)C(=CC2=C1C(C)(CC)CCC2(C)CC)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 334.18925731g/mol
- Monoisotopic Mass: 334.18925731g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 500
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.6
- Topological Polar Surface Area: 91.6?2
1,4,6-Triethyl-1,4-dimethyl-5,7-dinitro-1,2,3,4-tetrahydronaphthalene Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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