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Home > Quinoline > 878790-03-5
878790-03-5 | 1-Ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 878790-03-5 Catalog No: AG004FXR MDL No:
Product Description
Catalog Number:
AG004FXR
Chemical Name:
1-Ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
878790-03-5
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
IUPAC Name:
1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-4-11-10-8-13(16-3)12(15-2)7-9(10)5-6-14-11;/h7-8,11,14H,4-6H2,1-3H3;1H
InChI Key:
ZXVDFSHZBKHSRO-UHFFFAOYSA-N
SMILES:
CCC1NCCc2c1cc(OC)c(c2)OC.Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.758g/mol
Monoisotopic Mass:
257.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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