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1245644-01-2 | 2H-Pyrazino[2,1-a]isoquinoline, 10-chloro-1,3,4,6,7,11b-hexahydro-, hydrochloride (1:2)
CAS No: 1245644-01-2 Catalog No: AG000M8Y MDL No:MFCD14706743
Product Description
Catalog Number:
AG000M8Y
Chemical Name:
2H-Pyrazino[2,1-a]isoquinoline, 10-chloro-1,3,4,6,7,11b-hexahydro-, hydrochloride (1:2)
CAS Number:
1245644-01-2
Molecular Formula:
C12H17Cl3N2
Molecular Weight:
295.6358
MDL Number:
MFCD14706743
IUPAC Name:
10-chloro-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
InChI:
InChI=1S/C12H15ClN2.2ClH/c13-10-2-1-9-3-5-15-6-4-14-8-12(15)11(9)7-10;;/h1-2,7,12,14H,3-6,8H2;2*1H
InChI Key:
AXUBRZAIAKEHAS-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C1CNCCN1CC2.Cl.Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.632g/mol
Monoisotopic Mass:
294.046g/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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