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88327-82-6 | 2-Butanone, 4-(octahydropyrazino[1,2-a]azepin-2(1H)-yl)-
CAS No: 88327-82-6 Catalog No: AG0047FS MDL No:
Product Description
Catalog Number:
AG0047FS
Chemical Name:
2-Butanone, 4-(octahydropyrazino[1,2-a]azepin-2(1H)-yl)-
CAS Number:
88327-82-6
Molecular Formula:
C13H24N2O
Molecular Weight:
224.3425
IUPAC Name:
4-(3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepin-2-yl)butan-2-one
InChI:
InChI=1S/C13H24N2O/c1-12(16)6-8-14-9-10-15-7-4-2-3-5-13(15)11-14/h13H,2-11H2,1H3
InChI Key:
MFFVXXRTRAAXHR-UHFFFAOYSA-N
SMILES:
CC(=O)CCN1CCN2C(C1)CCCCC2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.189g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.348g/mol
Monoisotopic Mass:
224.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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