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20232-65-9 | Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-(2-methylbutyl)-
CAS No: 20232-65-9 Catalog No: AG002861 MDL No:
Product Description
Catalog Number:
AG002861
Chemical Name:
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-(2-methylbutyl)-
CAS Number:
20232-65-9
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
IUPAC Name:
6,7-dimethoxy-1-(2-methylbutyl)-3,4-dihydroisoquinoline
InChI:
InChI=1S/C16H23NO2/c1-5-11(2)8-14-13-10-16(19-4)15(18-3)9-12(13)6-7-17-14/h9-11H,5-8H2,1-4H3
InChI Key:
YOUNAVYUPVYFAI-UHFFFAOYSA-N
SMILES:
CCC(CC1=NCCc2c1cc(OC)c(c2)OC)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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