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88327-79-1 | Pyrazino[1,2-a]azepine, decahydro-2-(2-phenylethyl)-
CAS No: 88327-79-1 Catalog No: AG0047LA MDL No:
Product Description
Catalog Number:
AG0047LA
Chemical Name:
Pyrazino[1,2-a]azepine, decahydro-2-(2-phenylethyl)-
CAS Number:
88327-79-1
Molecular Formula:
C17H26N2
Molecular Weight:
258.4017
IUPAC Name:
2-(2-phenylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
InChI:
InChI=1S/C17H26N2/c1-3-7-16(8-4-1)10-12-18-13-14-19-11-6-2-5-9-17(19)15-18/h1,3-4,7-8,17H,2,5-6,9-15H2
InChI Key:
PQRYKWDROCLEKP-UHFFFAOYSA-N
SMILES:
C1CCN2C(CC1)CN(CC2)CCc1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.21g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.409g/mol
Monoisotopic Mass:
258.21g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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