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5260-46-8 | 2,3,4,6,7,11B-HEXAHYDRO-1H-PYRAZINO[2,1-A]ISOQUINOLINE DIHYDROCHLORIDE
CAS No: 5260-46-8 Catalog No: AG00DKOP MDL No:MFCD13152230
Product Description
Catalog Number:
AG00DKOP
Chemical Name:
2,3,4,6,7,11B-HEXAHYDRO-1H-PYRAZINO[2,1-A]ISOQUINOLINE DIHYDROCHLORIDE
CAS Number:
5260-46-8
Molecular Formula:
C12H18Cl2N2
Molecular Weight:
261.1907
MDL Number:
MFCD13152230
IUPAC Name:
2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
InChI:
InChI=1S/C12H16N2.2ClH/c1-2-4-11-10(3-1)5-7-14-8-6-13-9-12(11)14;;/h1-4,12-13H,5-9H2;2*1H
InChI Key:
WPASCARMJJLMHJ-UHFFFAOYSA-N
SMILES:
N1CCN2C(C1)c1ccccc1CC2.Cl.Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
261.19g/mol
Monoisotopic Mass:
260.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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