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823814-02-4 | Isoquinoline, 1,2,3,4-tetrahydro-1-(1-octynyl)-2-phenyl-
CAS No: 823814-02-4 Catalog No: AG004X1Q MDL No:
Product Description
Catalog Number:
AG004X1Q
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-1-(1-octynyl)-2-phenyl-
CAS Number:
823814-02-4
Molecular Formula:
C23H27N
Molecular Weight:
317.4672
IUPAC Name:
1-oct-1-ynyl-2-phenyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C23H27N/c1-2-3-4-5-6-10-17-23-22-16-12-11-13-20(22)18-19-24(23)21-14-8-7-9-15-21/h7-9,11-16,23H,2-6,18-19H2,1H3
InChI Key:
HBAUJJIZENJOSK-UHFFFAOYSA-N
SMILES:
CCCCCCC#CC1N(CCc2c1cccc2)c1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.214g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.476g/mol
Monoisotopic Mass:
317.214g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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