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114105-63-4 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(1-methylethyl)-, (1S)-
CAS No: 114105-63-4 Catalog No: AG000AKT MDL No:
Product Description
Catalog Number:
AG000AKT
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(1-methylethyl)-, (1S)-
CAS Number:
114105-63-4
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C14H21NO2/c1-9(2)14-11-8-13(17-4)12(16-3)7-10(11)5-6-15-14/h7-9,14-15H,5-6H2,1-4H3
InChI Key:
IRWSLTSAQIJKQL-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCN[C@H]2C(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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