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167781-50-2 | Isoquinoline, 1-cyclopropyl-1,2,3,4-tetrahydro-
CAS No: 167781-50-2 Catalog No: AG001XLA MDL No:MFCD02179252
Product Description
Catalog Number:
AG001XLA
Chemical Name:
Isoquinoline, 1-cyclopropyl-1,2,3,4-tetrahydro-
CAS Number:
167781-50-2
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD02179252
IUPAC Name:
1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C12H15N/c1-2-4-11-9(3-1)7-8-13-12(11)10-5-6-10/h1-4,10,12-13H,5-8H2
InChI Key:
KFPVVOFDTSXFCU-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C(NCC2)C1CC1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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