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918665-59-5 | Isoquinoline, 3,4,6,7-tetrahydro-6,7-dimethoxy-1-(phenylmethyl)-
CAS No: 918665-59-5 Catalog No: AG006NV0 MDL No:
Product Description
Catalog Number:
AG006NV0
Chemical Name:
Isoquinoline, 3,4,6,7-tetrahydro-6,7-dimethoxy-1-(phenylmethyl)-
CAS Number:
918665-59-5
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
IUPAC Name:
1-benzyl-6,7-dimethoxy-3,4,6,7-tetrahydroisoquinoline
InChI:
InChI=1S/C18H21NO2/c1-20-17-11-14-8-9-19-16(15(14)12-18(17)21-2)10-13-6-4-3-5-7-13/h3-7,11-12,17-18H,8-10H2,1-2H3
InChI Key:
AFJPEQQTYICIGA-UHFFFAOYSA-N
SMILES:
COC1C=C2C(=CC1OC)CCN=C2Cc1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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