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67258-26-8 | Isoquinoline,1,1'-(1,3-propanediyl)bis-
CAS No: 67258-26-8 Catalog No: AG00639D MDL No:
Product Description
Catalog Number:
AG00639D
Chemical Name:
Isoquinoline,1,1'-(1,3-propanediyl)bis-
CAS Number:
67258-26-8
Molecular Formula:
C21H18N2
Molecular Weight:
298.3810
IUPAC Name:
1-(3-isoquinolin-1-ylpropyl)isoquinoline
InChI:
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:
C(Cc1nccc2c1cccc2)Cc1nccc2c1cccc2
NSC Number:
143127
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.389g/mol
Monoisotopic Mass:
298.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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