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860648-80-2 | 2-{[2-(prop-2-yn-1-yloxy)naphthalen-1-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
CAS No: 860648-80-2 Catalog No: AG00INBX MDL No:MFCD05974991
Product Description
Catalog Number:
AG00INBX
Chemical Name:
2-{[2-(prop-2-yn-1-yloxy)naphthalen-1-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
CAS Number:
860648-80-2
Molecular Formula:
C23H21NO
Molecular Weight:
327.4189
MDL Number:
MFCD05974991
IUPAC Name:
2-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C23H21NO/c1-2-15-25-23-12-11-19-8-5-6-10-21(19)22(23)17-24-14-13-18-7-3-4-9-20(18)16-24/h1,3-12H,13-17H2
InChI Key:
ZCASRYNPNNALDH-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc2c(c1CN1CCc3c(C1)cccc3)cccc2
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.162g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.427g/mol
Monoisotopic Mass:
327.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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