Cas no 61171-16-2 (Benz[g]isoquinoline, 3,6,8-trimethyl-)
![Benz[g]isoquinoline, 3,6,8-trimethyl- structure](https://ossimg.kuujia.com/scimg/61500/61171-16-2x500.png)
61171-16-2 structure
Product Name:Benz[g]isoquinoline, 3,6,8-trimethyl-
CAS No:61171-16-2
MF:C16H15N
MW:221.297003984451
CID:489791
PubChem ID:613550
Update Time:2025-04-19
Benz[g]isoquinoline, 3,6,8-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benz[g]isoquinoline, 3,6,8-trimethyl-
- 3,6,8-trimethylbenzo[g]isoquinoline
- OODHWXBTIXXSQE-UHFFFAOYSA-
- Benz[j]isoquinoline, 3,6,8-trimethyl-
- InChI=1/C16H15N/c1-10-4-11(2)16-8-13-6-12(3)17-9-15(13)7-14(16)5-10/h4-9H,1-3H3
- OODHWXBTIXXSQE-UHFFFAOYSA-N
- 3,6,8-Trimethylbenzo[g]isoquinoline #
- 61171-16-2
- DTXSID10346608
-
- Inchi： 1S/C16H15N/c1-10-4-11(2)16-8-13-6-12(3)17-9-15(13)7-14(16)5-10/h4-9H,1-3H3
- InChI Key： OODHWXBTIXXSQE-UHFFFAOYSA-N
- SMILES： N1C(C)=CC2C=C3C(C)=CC(C)=CC3=CC=2C=1
Computed Properties
- Exact Mass: 221.12055
- Monoisotopic Mass: 221.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 275
- 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: 4.2
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89
Benz[g]isoquinoline, 3,6,8-trimethyl- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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