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1250818-28-0 | 1-ethyl-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CAS No: 1250818-28-0 Catalog No: AG01C5OY MDL No:MFCD16753970
Product Description
Catalog Number:
AG01C5OY
Chemical Name:
1-ethyl-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1250818-28-0
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
MDL Number:
MFCD16753970
IUPAC Name:
1-ethyl-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C13H19NO2/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
InChI Key:
PSATYRLBOKIHIX-UHFFFAOYSA-N
SMILES:
CCC1NCCc2c1ccc(c2OC)OC
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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