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113628-18-5 | 1,4-Oxazepine, 2,3,6,7-tetrahydro-5-(4-morpholinyl)-
CAS No: 113628-18-5 Catalog No: AG000974 MDL No:
Product Description
Catalog Number:
AG000974
Chemical Name:
1,4-Oxazepine, 2,3,6,7-tetrahydro-5-(4-morpholinyl)-
CAS Number:
113628-18-5
Molecular Formula:
C9H16N2O2
Molecular Weight:
184.2355
IUPAC Name:
5-morpholin-4-yl-2,3,6,7-tetrahydro-1,4-oxazepine
InChI:
InChI=1S/C9H16N2O2/c1-5-12-6-2-10-9(1)11-3-7-13-8-4-11/h1-8H2
InChI Key:
JBLRHCMHCLTZLC-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)C1=NCCOCC1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.239g/mol
Monoisotopic Mass:
184.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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