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87443-64-9 | 1-CYCLOHEXYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
CAS No: 87443-64-9 Catalog No: AG00GYO7 MDL No:MFCD02179247
Product Description
Catalog Number:
AG00GYO7
Chemical Name:
1-CYCLOHEXYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
CAS Number:
87443-64-9
Molecular Formula:
C15H21N
Molecular Weight:
215.3339
MDL Number:
MFCD02179247
IUPAC Name:
1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C15H21N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h4-6,9,13,15-16H,1-3,7-8,10-11H2
InChI Key:
OMYOTQLWOQIIKW-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)C1NCCc2c1cccc2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.34g/mol
Monoisotopic Mass:
215.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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