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79017-45-1 | Pyrazino[2,1-a]isoindole, 1,2,3,4,6,10b-hexahydro-1-methyl-, trans- (9CI)
CAS No: 79017-45-1 Catalog No: AG00GH7Y MDL No:
Product Description
Catalog Number:
AG00GH7Y
Chemical Name:
Pyrazino[2,1-a]isoindole, 1,2,3,4,6,10b-hexahydro-1-methyl-, trans- (9CI)
CAS Number:
79017-45-1
IUPAC Name:
(1R,10bS)-1-methyl-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole
InChI:
InChI=1S/C12H16N2/c1-9-12-11-5-3-2-4-10(11)8-14(12)7-6-13-9/h2-5,9,12-13H,6-8H2,1H3/t9-,12-/m1/s1
InChI Key:
MDAMQQBXDLUPFQ-BXKDBHETSA-N
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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