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52250-50-7 | Isoquinoline, 3,4-dihydro-1-phenyl-
CAS No: 52250-50-7 Catalog No: AG00I9CJ MDL No:MFCD01817309
Product Description
Catalog Number:
AG00I9CJ
Chemical Name:
Isoquinoline, 3,4-dihydro-1-phenyl-
CAS Number:
52250-50-7
Molecular Formula:
C15H13N
Molecular Weight:
207.2704
MDL Number:
MFCD01817309
IUPAC Name:
1-phenyl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C15H13N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9H,10-11H2
InChI Key:
CTOQBSUYGFNMJX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NCCc2c1cccc2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.276g/mol
Monoisotopic Mass:
207.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of 1-phenyl-1,2,3,4-dihydroisoquinoline compounds as tubulin polymerization inhibitors. | Archiv der Pharmazie 20120601 |
| [Reactions of N-quaternary 1-phenyl-3,4-dihydroisoquinolinium compounds with nucleophiles--products and their isomerism--part 2]. | Die Pharmazie 20050101 |
| [Reactions of N-quaternary 1-phenyl-3,4-dihydroisoquinolinium compounds with nucleophiles - products and their isomerism - part 1]. | Die Pharmazie 20030301 |
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