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39213-97-3 | 1-propyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 39213-97-3 Catalog No: AG01AIAN MDL No:MFCD16744015
Product Description
Catalog Number:
AG01AIAN
Chemical Name:
1-propyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
39213-97-3
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD16744015
IUPAC Name:
1-propyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C12H17N/c1-2-5-12-11-7-4-3-6-10(11)8-9-13-12/h3-4,6-7,12-13H,2,5,8-9H2,1H3
InChI Key:
LECSIQWALUVWLW-UHFFFAOYSA-N
SMILES:
CCCC1NCCc2c1cccc2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
2
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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