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603067-00-1 | 5H-Isoxazolo[5,4-b]azepine,3-(1-ethyl-2-piperidinyl)-6,7,8,8a-tetrahydro-(9CI)
CAS No: 603067-00-1 Catalog No: AG00EXLE MDL No:
Product Description
Catalog Number:
AG00EXLE
Chemical Name:
5H-Isoxazolo[5,4-b]azepine,3-(1-ethyl-2-piperidinyl)-6,7,8,8a-tetrahydro-(9CI)
CAS Number:
603067-00-1
IUPAC Name:
3-(1-ethylpiperidin-2-yl)-6,7,8,8a-tetrahydro-5H-[1,2]oxazolo[5,4-b]azepine
InChI:
InChI=1S/C14H23N3O/c1-2-17-10-6-4-8-12(17)13-11-7-3-5-9-15-14(11)18-16-13/h7,12,14-15H,2-6,8-10H2,1H3
InChI Key:
IUGHOXHYSLFQNK-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:
1.9
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