Cas no 61862-86-0 (Quinoline, 1,2,3,4-tetrahydro-6,7-dinitro-1-propyl-)
61862-86-0 structure
Product Name:Quinoline, 1,2,3,4-tetrahydro-6,7-dinitro-1-propyl-
CAS No:61862-86-0
MF:C12H15N3O4
MW:265.265202760696
CID:464201
PubChem ID:12288370
Update Time:2025-04-19
Quinoline, 1,2,3,4-tetrahydro-6,7-dinitro-1-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 1,2,3,4-tetrahydro-6,7-dinitro-1-propyl-
- 6,7-dinitro-1-propyl-3,4-dihydro-2H-quinoline
- 61862-86-0
- DTXSID50484694
-
- Inchi： 1S/C12H15N3O4/c1-2-5-13-6-3-4-9-7-11(14(16)17)12(15(18)19)8-10(9)13/h7-8H,2-6H2,1H3
- InChI Key： ISABEWPCDGBIPG-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(=CC2=C(C=1)N(CCC)CCC2)[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-6,7-dinitro-1-propyl- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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