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148204-37-9 | 1-Isoquinolinepentanol, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)
CAS No: 148204-37-9 Catalog No: AG001FIV MDL No:
Product Description
Catalog Number:
AG001FIV
Chemical Name:
1-Isoquinolinepentanol, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)
CAS Number:
148204-37-9
Molecular Formula:
C16H26ClNO3
Molecular Weight:
315.8355
IUPAC Name:
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)pentan-1-ol;hydrochloride
InChI:
InChI=1S/C16H25NO3.ClH/c1-19-15-10-12-7-8-17-14(6-4-3-5-9-18)13(12)11-16(15)20-2;/h10-11,14,17-18H,3-9H2,1-2H3;1H
InChI Key:
FUHDHZNHOREFGM-UHFFFAOYSA-N
SMILES:
COc1cc2C(CCCCCO)NCCc2cc1OC.Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.16g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.838g/mol
Monoisotopic Mass:
315.16g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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