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603066-99-5 | 5H-Isoxazolo[5,4-b]azepine,3-(1-ethyl-3-piperidinyl)-6,7,8,8a-tetrahydro-(9CI)
CAS No: 603066-99-5 Catalog No: AG00EXLD MDL No:
Product Description
Catalog Number:
AG00EXLD
Chemical Name:
5H-Isoxazolo[5,4-b]azepine,3-(1-ethyl-3-piperidinyl)-6,7,8,8a-tetrahydro-(9CI)
CAS Number:
603066-99-5
IUPAC Name:
3-(1-ethylpiperidin-3-yl)-6,7,8,8a-tetrahydro-5H-[1,2]oxazolo[5,4-b]azepine
InChI:
InChI=1S/C14H23N3O/c1-2-17-9-5-6-11(10-17)13-12-7-3-4-8-15-14(12)18-16-13/h7,11,14-15H,2-6,8-10H2,1H3
InChI Key:
FBJLHTILZIGRLY-UHFFFAOYSA-N
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.184g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.358g/mol
Monoisotopic Mass:
249.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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