Cas no 1616-50-8 (Isoquinoline, 3-methyl-1-phenyl-)
1616-50-8 structure
Product Name:Isoquinoline, 3-methyl-1-phenyl-
CAS No:1616-50-8
MF:C16H13N
MW:219.281123876572
CID:1341563
PubChem ID:2752934
Update Time:2025-04-20
Isoquinoline, 3-methyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 3-methyl-1-phenyl-
- SCHEMBL10671008
- 1-Phenyl-3-methyl-isochinoline
- AKOS004901961
- 3-methyl-1-phenylisoquinoline
- 1616-50-8
-
- Inchi： 1S/C16H13N/c1-12-11-14-9-5-6-10-15(14)16(17-12)13-7-3-2-4-8-13/h2-11H,1H3
- InChI Key： ZNJILORVTKIZNP-UHFFFAOYSA-N
- SMILES： N1C(C)=CC2C=CC=CC=2C=1C1C=CC=CC=1
Computed Properties
- Exact Mass: 219.10489
- Monoisotopic Mass: 219.104799419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 244
- 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
Isoquinoline, 3-methyl-1-phenyl- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
1616-50-8 (Isoquinoline, 3-methyl-1-phenyl-) Related Products
- 14435-88-2(2,6-Bis(p-tolyl)pyridine)
- 3297-72-1(1-Phenylisoquinoline)
- 84716-37-0(2-NAPHTHALEN-1-YL-1H-PYRROLE)
- 46181-30-0(2-Methyl-6-phenylpyridine)
- 37993-76-3(3-Phenylisoquinoline)
- 2720-93-6(Phenanthridine,6-phenyl-)
- 3558-69-8(2,6-Diphenylpyridine)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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