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Home > Quinoline > 886759-47-3
886759-47-3 | 1-Cyclobutyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 886759-47-3 Catalog No: AG0047NY MDL No:
Product Description
Catalog Number:
AG0047NY
Chemical Name:
1-Cyclobutyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
886759-47-3
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
1-cyclobutyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C13H17N/c1-2-7-12-10(4-1)8-9-14-13(12)11-5-3-6-11/h1-2,4,7,11,13-14H,3,5-6,8-9H2
InChI Key:
BZKHQILNYWQRIO-UHFFFAOYSA-N
SMILES:
C1CC(C1)C1NCCc2c1cccc2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Facile synthesis and in vitro properties of 1-alkyl- and 1-alkyl-N-propargyl-1,2,3,4-tetrahydroisoquinoline derivatives on PC12 cells. | European journal of medicinal chemistry 20091001 |
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