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692729-81-0 | Isoquinoline,5,6,7,8-tetrahydro-3-phenyl-1-(2-pyridinyl)-
CAS No: 692729-81-0 Catalog No: AG006NF0 MDL No:
Product Description
Catalog Number:
AG006NF0
Chemical Name:
Isoquinoline,5,6,7,8-tetrahydro-3-phenyl-1-(2-pyridinyl)-
CAS Number:
692729-81-0
Molecular Formula:
C20H18N2
Molecular Weight:
286.3703
IUPAC Name:
3-phenyl-1-pyridin-2-yl-5,6,7,8-tetrahydroisoquinoline
InChI:
InChI=1S/C20H18N2/c1-2-8-15(9-3-1)19-14-16-10-4-5-11-17(16)20(22-19)18-12-6-7-13-21-18/h1-3,6-9,12-14H,4-5,10-11H2
InChI Key:
QTGYIUKHNRWBNU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc2CCCCc2c(n1)c1ccccn1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.378g/mol
Monoisotopic Mass:
286.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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