Cas no 102871-68-1 (2,7,8-TRIMETHYLQUINOLINE)
2,7,8-TRIMETHYLQUINOLINE structure
Product Name:2,7,8-TRIMETHYLQUINOLINE
CAS No:102871-68-1
MF:C12H13N
MW:171.238322973251
CID:891629
PubChem ID:17039629
Update Time:2025-04-19
2,7,8-TRIMETHYLQUINOLINE Chemical and Physical Properties
Names and Identifiers
-
- 2,7,8-TRIMETHYLQUINOLINE
- 2,7,8-Trimethyl-chinolin
- 2,7,8-trimethyl-quinoline
- 7,8-Dimethylquinaldine
- QU146
-
- Inchi： 1S/C12H13N/c1-8-4-6-11-7-5-9(2)13-12(11)10(8)3/h4-7H,1-3H3
- InChI Key： OQMCEPGEODDVJR-UHFFFAOYSA-N
- SMILES： N1C(C)=CC=C2C=CC(C)=C(C)C=12
Computed Properties
- Exact Mass: 171.10500
- Monoisotopic Mass: 171.104799419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 178
- 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: 3.3
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89000
- LogP: 3.16000
2,7,8-TRIMETHYLQUINOLINE Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
-
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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
102871-68-1 (2,7,8-TRIMETHYLQUINOLINE) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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