Cas no 61305-03-1 (Isoquinoline, 3,4-dihydro-1-(4-methylphenyl)-)
61305-03-1 structure
Product Name:Isoquinoline, 3,4-dihydro-1-(4-methylphenyl)-
CAS No:61305-03-1
MF:C16H15N
MW:221.297003984451
CID:485115
PubChem ID:11807349
Update Time:2025-04-19
Isoquinoline, 3,4-dihydro-1-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 3,4-dihydro-1-(4-methylphenyl)-
- 1-(4-methylphenyl)-3,4-dihydroisoquinoline
- 61305-03-1
- 1-(p-Tolyl)-3,4-dihydroisoquinoline
- DTXSID70473222
- SCHEMBL13805616
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- Inchi： 1S/C16H15N/c1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16/h2-9H,10-11H2,1H3
- InChI Key： XQROEYGMOBUPJP-UHFFFAOYSA-N
- SMILES： N1CCC2C=CC=CC=2C=1C1C=CC(C)=CC=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: 1
- Complexity: 286
- 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: 3.7
- Topological Polar Surface Area: 12.4?2
Experimental Properties
- PSA: 12.36
Isoquinoline, 3,4-dihydro-1-(4-methylphenyl)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
61305-03-1 (Isoquinoline, 3,4-dihydro-1-(4-methylphenyl)-) Related Products
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