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148204-36-8 | 1-Isoquinolinebutanol, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)
CAS No: 148204-36-8 Catalog No: AG001FIW MDL No:
Product Description
Catalog Number:
AG001FIW
Chemical Name:
1-Isoquinolinebutanol, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)
CAS Number:
148204-36-8
Molecular Formula:
C15H24ClNO3
Molecular Weight:
301.8090
IUPAC Name:
4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol;hydrochloride
InChI:
InChI=1S/C15H23NO3.ClH/c1-18-14-9-11-6-7-16-13(5-3-4-8-17)12(11)10-15(14)19-2;/h9-10,13,16-17H,3-8H2,1-2H3;1H
InChI Key:
UWFWAZOAABHODU-UHFFFAOYSA-N
SMILES:
COc1cc2C(CCCCO)NCCc2cc1OC.Cl
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.144g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
301.811g/mol
Monoisotopic Mass:
301.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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