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142976-45-2 | (R*)-2-((R*)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-PROPAN-1-OL
CAS No: 142976-45-2 Catalog No: AG006X4A MDL No:
Product Description
Catalog Number:
AG006X4A
Chemical Name:
(R*)-2-((R*)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-PROPAN-1-OL
CAS Number:
142976-45-2
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
(2R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-1-ol
InChI:
InChI=1S/C14H21NO3/c1-9(8-16)14-11-7-13(18-3)12(17-2)6-10(11)4-5-15-14/h6-7,9,14-16H,4-5,8H2,1-3H3/t9-,14+/m0/s1
InChI Key:
NOKHNYXMHMHPQS-LKFCYVNXSA-N
SMILES:
OC[C@@H]([C@H]1NCCc2c1cc(OC)c(c2)OC)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
4
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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