Cas no 61862-89-3 (Quinoline, 1-ethyl-1,2,3,4-tetrahydro-7,8-dinitro-)
61862-89-3 structure
Product Name:Quinoline, 1-ethyl-1,2,3,4-tetrahydro-7,8-dinitro-
CAS No:61862-89-3
MF:C11H13N3O4
MW:251.238622426987
CID:464198
PubChem ID:12288368
Update Time:2025-04-19
Quinoline, 1-ethyl-1,2,3,4-tetrahydro-7,8-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 1-ethyl-1,2,3,4-tetrahydro-7,8-dinitro-
- 1-ethyl-7,8-dinitro-3,4-dihydro-2H-quinoline
- DTXSID30484692
- 61862-89-3
-
- Inchi： 1S/C11H13N3O4/c1-2-12-7-3-4-8-5-6-9(13(15)16)11(10(8)12)14(17)18/h5-6H,2-4,7H2,1H3
- InChI Key： MTEQUFZIXLHXFB-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C(C=CC2=C1N(CC)CCC2)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 251.09069
- Monoisotopic Mass: 251.09060590g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 338
- 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: 2.5
- Topological Polar Surface Area: 94.9?2
Experimental Properties
- PSA: 89.52
Quinoline, 1-ethyl-1,2,3,4-tetrahydro-7,8-dinitro- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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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