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101776-23-2 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-propyl-, hydrochloride (1:1)
CAS No: 101776-23-2 Catalog No: AG0005GD MDL No:
Product Description
Catalog Number:
AG0005GD
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-propyl-, hydrochloride (1:1)
CAS Number:
101776-23-2
Molecular Formula:
C14H22ClNO2
Molecular Weight:
271.7830
IUPAC Name:
6,7-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C14H21NO2.ClH/c1-4-5-12-11-9-14(17-3)13(16-2)8-10(11)6-7-15-12;/h8-9,12,15H,4-7H2,1-3H3;1H
InChI Key:
OPTMKIPMKWCJCM-UHFFFAOYSA-N
SMILES:
CCCC1NCCc2c1cc(OC)c(c2)OC.Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.134g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.785g/mol
Monoisotopic Mass:
271.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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