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148204-28-8 | 1-Isoquinolinepropanol, 1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS No: 148204-28-8 Catalog No: AG001FIZ MDL No:
Product Description
Catalog Number:
AG001FIZ
Chemical Name:
1-Isoquinolinepropanol, 1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS Number:
148204-28-8
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol
InChI:
InChI=1S/C14H21NO3/c1-17-13-8-10-5-6-15-12(4-3-7-16)11(10)9-14(13)18-2/h8-9,12,15-16H,3-7H2,1-2H3
InChI Key:
ATYQDEIGHYQNLP-UHFFFAOYSA-N
SMILES:
OCCCC1NCCc2c1cc(OC)c(c2)OC
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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