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5234-86-6 | 1,3,4,6,7,11b-Hexahydro-2H-pyrazino[2,1-a]isoquinoline
CAS No: 5234-86-6 Catalog No: AG00DKQO MDL No:MFCD00868587
Product Description
Catalog Number:
AG00DKQO
Chemical Name:
1,3,4,6,7,11b-Hexahydro-2H-pyrazino[2,1-a]isoquinoline
CAS Number:
5234-86-6
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
MDL Number:
MFCD00868587
IUPAC Name:
2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
InChI:
InChI=1S/C12H16N2/c1-2-4-11-10(3-1)5-7-14-8-6-13-9-12(11)14/h1-4,12-13H,5-9H2
InChI Key:
SCVCXWHEHAKJCG-UHFFFAOYSA-N
SMILES:
N1CCN2C(C1)c1ccccc1CC2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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