Cas no 61862-90-6 (Quinoline, 1,2,3,4-tetrahydro-7,8-dinitro-1-propyl-)
61862-90-6 structure
Product Name:Quinoline, 1,2,3,4-tetrahydro-7,8-dinitro-1-propyl-
CAS No:61862-90-6
MF:C12H15N3O4
MW:265.265202760696
CID:464197
PubChem ID:12288371
Update Time:2025-04-19
Quinoline, 1,2,3,4-tetrahydro-7,8-dinitro-1-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 1,2,3,4-tetrahydro-7,8-dinitro-1-propyl-
- 7,8-dinitro-1-propyl-3,4-dihydro-2H-quinoline
- 61862-90-6
- DTXSID10484695
-
- Inchi： 1S/C12H15N3O4/c1-2-7-13-8-3-4-9-5-6-10(14(16)17)12(11(9)13)15(18)19/h5-6H,2-4,7-8H2,1H3
- InChI Key： NNWXYVCEZXRQTF-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C(C=CC2CCCN(CCC)C=21)[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-7,8-dinitro-1-propyl- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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