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886997-74-6 | (6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-3-yl)-methanol hydrochloride
CAS No: 886997-74-6 Catalog No: AG0046EH MDL No:
Product Description
Catalog Number:
AG0046EH
Chemical Name:
(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-3-yl)-methanol hydrochloride
CAS Number:
886997-74-6
Molecular Formula:
C12H18ClNO3
Molecular Weight:
259.7292
IUPAC Name:
(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol;hydrochloride
InChI:
InChI=1S/C12H17NO3.ClH/c1-15-11-4-8-3-10(7-14)13-6-9(8)5-12(11)16-2;/h4-5,10,13-14H,3,6-7H2,1-2H3;1H
InChI Key:
OBWOHVJRRDAISK-UHFFFAOYSA-N
SMILES:
OCC1NCc2c(C1)cc(c(c2)OC)OC.Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.73g/mol
Monoisotopic Mass:
259.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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