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2328-12-3 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)
CAS No: 2328-12-3 Catalog No: AG002MRX MDL No:MFCD00012744
Product Description
Catalog Number:
AG002MRX
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)
CAS Number:
2328-12-3
Molecular Formula:
C11H16ClNO2
Molecular Weight:
229.7032
MDL Number:
MFCD00012744
IUPAC Name:
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C11H15NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-6,12H,3-4,7H2,1-2H3;1H
InChI Key:
SHOWAGCIRTUYNA-UHFFFAOYSA-N
SMILES:
COc1cc2CNCCc2cc1OC.Cl
EC Number:
607-218-0
NSC Number:
18443
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.704g/mol
Monoisotopic Mass:
229.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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