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1955493-74-9 | 1-ethyl-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 1955493-74-9 Catalog No: AG01C5OX MDL No:MFCD29991456
Product Description
Catalog Number:
AG01C5OX
Chemical Name:
1-ethyl-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
1955493-74-9
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
MDL Number:
MFCD29991456
IUPAC Name:
1-ethyl-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-4-11-9-5-6-12(15-2)13(16-3)10(9)7-8-14-11;/h5-6,11,14H,4,7-8H2,1-3H3;1H
InChI Key:
YXDYGCKOAVPPRQ-UHFFFAOYSA-N
SMILES:
CCC1NCCc2c1ccc(c2OC)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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