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88327-83-7 | Pyrazino[1,2-a]azepine, decahydro-2-[2-(4-pyridinyl)ethyl]-
CAS No: 88327-83-7 Catalog No: AG0048BA MDL No:
Product Description
Catalog Number:
AG0048BA
Chemical Name:
Pyrazino[1,2-a]azepine, decahydro-2-[2-(4-pyridinyl)ethyl]-
CAS Number:
88327-83-7
Molecular Formula:
C16H25N3
Molecular Weight:
259.3898
IUPAC Name:
2-(2-pyridin-4-ylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
InChI:
InChI=1S/C16H25N3/c1-2-4-16-14-18(12-13-19(16)10-3-1)11-7-15-5-8-17-9-6-15/h5-6,8-9,16H,1-4,7,10-14H2
InChI Key:
ULHWXQDVXNWNER-UHFFFAOYSA-N
SMILES:
C1CCN2C(CC1)CN(CC2)CCc1ccncc1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.205g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.397g/mol
Monoisotopic Mass:
259.205g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
19.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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