Cas no 561297-83-4 (4,4-Dimethyl-7-nitro-1,2,3,4-tetrahydroquinoline)
561297-83-4 structure
Product Name:4,4-Dimethyl-7-nitro-1,2,3,4-tetrahydroquinoline
CAS No:561297-83-4
MF:C11H14N2O2
MW:206.241062641144
CID:1083669
PubChem ID:21961477
Update Time:2025-04-20
4,4-Dimethyl-7-nitro-1,2,3,4-tetrahydroquinoline Chemical and Physical Properties
Names and Identifiers
-
- 4,4-Dimethyl-7-nitro-1,2,3,4-tetrahydroquinoline
- 4,4-dimethyl-7-nitro-1,2,3,4-tetrahydro-quinoline
- Quinoline, 1,2,3,4-tetrahydro-4,4-diMethyl-7-nitro-
- 1,2,3,4-tetrahydro-4,4-dimethyl-1-naphthol
- 1,2,3,4-tetrahydro-4,4-dimethyl-7-nitroquinoline
- 1-Naphthalenol, 1,2,3,4-tetrahydro-4,4-dimethyl-
- 4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
- 4,4-dimethyl-1-tetralol
- 4,4-Dimethyl-2-hydroxy-1,2,3,4-tetrahydronaphthalin
- CTK1F9912
- dimethyl-4,4 tetralol
- SureCN6652087
- RNOVBVJBXRNABJ-UHFFFAOYSA-N
- C91654
- 561297-83-4
- 4,4-DIMETHYL-7-NITRO-2,3-DIHYDRO-1H-QUINOLINE
- SCHEMBL397096
- DB-357632
-
- Inchi： 1S/C11H14N2O2/c1-11(2)5-6-12-10-7-8(13(14)15)3-4-9(10)11/h3-4,7,12H,5-6H2,1-2H3
- InChI Key： RNOVBVJBXRNABJ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2=C(C=1)NCCC2(C)C)=O
Computed Properties
- Exact Mass: 206.10562
- Monoisotopic Mass: 206.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 260
- 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: 57.8?2
Experimental Properties
- PSA: 55.17
4,4-Dimethyl-7-nitro-1,2,3,4-tetrahydroquinoline Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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