Cas no 561297-84-5 (Quinoline, 1-ethyl-1,2,3,4-tetrahydro-4,4-dimethyl-7-nitro-)
561297-84-5 structure
Product Name:Quinoline, 1-ethyl-1,2,3,4-tetrahydro-4,4-dimethyl-7-nitro-
CAS No:561297-84-5
MF:C13H18N2O2
MW:234.294223308563
CID:1596554
PubChem ID:21961374
Update Time:2025-04-21
Quinoline, 1-ethyl-1,2,3,4-tetrahydro-4,4-dimethyl-7-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 1-ethyl-1,2,3,4-tetrahydro-4,4-dimethyl-7-nitro-
- SCHEMBL3144811
- GHDAUIQEECAFID-UHFFFAOYSA-N
- 1-Ethyl-4,4-dimethyl-7-nitro-1,2,3,4-tetrahydroquinoline
- 561297-84-5
- DB-103216
- 1-ethyl-4,4-dimethyl-7-nitro-1,2,3,4-tetrahydro-quinoline
-
- Inchi： 1S/C13H18N2O2/c1-4-14-8-7-13(2,3)11-6-5-10(15(16)17)9-12(11)14/h5-6,9H,4,7-8H2,1-3H3
- InChI Key： GHDAUIQEECAFID-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2=C(C=1)N(CC)CCC2(C)C)=O
Computed Properties
- Exact Mass: 234.13694
- Monoisotopic Mass: 234.136827821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 298
- 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: 3.5
- Topological Polar Surface Area: 49.1?2
Experimental Properties
- PSA: 46.38
Quinoline, 1-ethyl-1,2,3,4-tetrahydro-4,4-dimethyl-7-nitro- Related Literature
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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