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1082871-84-8 | 10-Methyl-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bh);-one
CAS No: 1082871-84-8 Catalog No: AG007D2X MDL No:MFCD11615142
Product Description
Catalog Number:
AG007D2X
Chemical Name:
10-Methyl-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bh);-one
CAS Number:
1082871-84-8
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD11615142
IUPAC Name:
10-methyl-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
InChI:
InChI=1S/C13H16N2O/c1-9-2-3-10-4-5-15-12(11(10)6-9)7-14-8-13(15)16/h2-3,6,12,14H,4-5,7-8H2,1H3
InChI Key:
GJQRCDBLMSXPGA-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C1CNCC(=O)N1CC2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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