Cas no 1721-95-5 (Isoquinoline,1,4-dimethyl-)
Isoquinoline,1,4-dimethyl- structure
Product Name:Isoquinoline,1,4-dimethyl-
Isoquinoline,1,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline,1,4-dimethyl-
- 1,4-dimethylisoquinoline
- SCHEMBL639134
- NSC272276
- 1721-95-5
- DTXSID90313550
- NSC-272276
- AM20050876
- AKOS006371970
- 1,4-dimethyl-isoquinoline
- NSC 272276
-
- Inchi： 1S/C11H11N/c1-8-7-12-9(2)11-6-4-3-5-10(8)11/h3-7H,1-2H3
- InChI Key： VDVQWFVNDPGUOH-UHFFFAOYSA-N
- SMILES： N1C=C(C)C2C=CC=CC=2C=1C
Computed Properties
- Exact Mass: 157.08923
- Monoisotopic Mass: 157.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 155
- 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: 2.9
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- Density: 1.052
- Boiling Point: 278.4°Cat760mmHg
- Flash Point: 117.2°C
- Refractive Index: 1.61
- PSA: 12.89
Isoquinoline,1,4-dimethyl- Related Literature
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1. Synthesis of 6-hydroxy-1,4-dimethylisoquinoline and of ethyl 7-hydroxy-6-methoxy-1-methylisoquinoline-3-carboxylateSilvio J. Martinet,Lesley Larsen,Jonathan D. Street,John A. Joule J. Chem. Soc. Perkin Trans. 1 1988 1705
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Yulin Tian,Jianguo Qi,Chenbin Sun,Dali Yin,Xiaojian Wang,Qiong Xiao Org. Biomol. Chem. 2013 11 7262
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3. Index pages
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