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109473-55-4 | 9,10-Dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CAS No: 109473-55-4 Catalog No: AG007T1N MDL No:MFCD09901319
Product Description
Catalog Number:
AG007T1N
Chemical Name:
9,10-Dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CAS Number:
109473-55-4
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD09901319
IUPAC Name:
9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
InChI:
InChI=1S/C14H20N2O2/c1-17-13-7-10-3-5-16-6-4-15-9-12(16)11(10)8-14(13)18-2/h7-8,12,15H,3-6,9H2,1-2H3
InChI Key:
GQMSJVWABLPCFG-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCN1C2CNCC1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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