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3340-78-1 | Isoquinoline, 1,2,3,4-tetrahydro-2-phenyl-
CAS No: 3340-78-1 Catalog No: AG01CC67 MDL No:
Product Description
Catalog Number:
AG01CC67
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-phenyl-
CAS Number:
3340-78-1
Molecular Formula:
C15H15N
Molecular Weight:
209.2863
IUPAC Name:
2-phenyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C15H15N/c1-2-8-15(9-3-1)16-11-10-13-6-4-5-7-14(13)12-16/h1-9H,10-12H2
InChI Key:
ONQBUHWENXKHHP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1CCc2c(C1)cccc2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.12g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.292g/mol
Monoisotopic Mass:
209.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| A comparative mechanistic study of Cu-catalyzed oxidative coupling reactions with N-phenyltetrahydroisoquinoline. | Journal of the American Chemical Society 20120321 |
| Mechanistic studies on a Cu-catalyzed aerobic oxidative coupling reaction with N-phenyl tetrahydroisoquinoline: structure of intermediates and the role of methanol as a solvent. | Journal of the American Chemical Society 20110601 |
| Aerobic and electrochemical oxidative cross-dehydrogenative-coupling (CDC) reaction in an imidazolium-based ionic liquid. | Chemistry (Weinheim an der Bergstrasse, Germany) 20100719 |
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