Cas no 67258-26-8 (Isoquinoline,1,1'-(1,3-propanediyl)bis-)
67258-26-8 structure
Product Name:Isoquinoline,1,1'-(1,3-propanediyl)bis-
CAS No:67258-26-8
MF:C21H18N2
MW:298.381024837494
CID:522793
PubChem ID:285715
Update Time:2025-04-19
Isoquinoline,1,1'-(1,3-propanediyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline,1,1'-(1,3-propanediyl)bis-
- 1-(3-isoquinolin-1-ylpropyl)isoquinoline
- 1,1'-propane-1,3-diyldiisoquinoline
- NSC-143127
- 67258-26-8
- 1,3-Di(isoquinolin-1-yl)propane
- DTXSID80301401
- SCHEMBL3248709
- 1,3-bis(1-isoquinolyl)-propane
- FROKLKWDNCODQM-UHFFFAOYSA-N
- NSC143127
-
- Inchi： 1S/C21H18N2/c1-3-8-18-16(6-1)12-14-22-20(18)10-5-11-21-19-9-4-2-7-17(19)13-15-23-21/h1-4,6-9,12-15H,5,10-11H2
- InChI Key： FROKLKWDNCODQM-UHFFFAOYSA-N
- SMILES： N1C=CC2C=CC=CC=2C=1CCCC1C2C=CC=CC=2C=CN=1
Computed Properties
- Exact Mass: 298.14700
- Monoisotopic Mass: 298.146999
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 335
- 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
- Topological Polar Surface Area: 25.8
- XLogP3: 4.9
Experimental Properties
- Density: 1.174
- Boiling Point: 487.4°C at 760 mmHg
- Flash Point: 185.9°C
- Refractive Index: 1.686
- PSA: 25.78000
- LogP: 4.95830
Isoquinoline,1,1'-(1,3-propanediyl)bis- Related Literature
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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