Cas no 73480-88-3 (Isoquinoline, 1,3,7-trimethyl-)
73480-88-3 structure
Product Name:Isoquinoline, 1,3,7-trimethyl-
CAS No:73480-88-3
MF:C12H13N
MW:171.238322973251
CID:542396
PubChem ID:13046099
Update Time:2025-04-19
Isoquinoline, 1,3,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 1,3,7-trimethyl-
- 1,3,7-trimethylisoquinoline
- 73480-88-3
- DTXSID20516239
- SCHEMBL12258271
-
- Inchi: 1S/C12H13N/c1-8-4-5-11-7-9(2)13-10(3)12(11)6-8/h4-7H,1-3H3
- InChI Key: GWHAQUUUZHTFPR-UHFFFAOYSA-N
- SMILES: N1C(C)=CC2C=CC(C)=CC=2C=1C
Computed Properties
- Exact Mass: 171.104799419g/mol
- 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
Isoquinoline, 1,3,7-trimethyl- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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