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1250502-21-6 | 3-[3-(Aminomethyl)phenyl]-1,3-oxazinan-2-one
CAS No: 1250502-21-6 Catalog No: AG01FALL MDL No:
Product Description
Catalog Number:
AG01FALL
Chemical Name:
3-[3-(Aminomethyl)phenyl]-1,3-oxazinan-2-one
CAS Number:
1250502-21-6
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
IUPAC Name:
3-[3-(aminomethyl)phenyl]-1,3-oxazinan-2-one
InChI:
InChI=1S/C11H14N2O2/c12-8-9-3-1-4-10(7-9)13-5-2-6-15-11(13)14/h1,3-4,7H,2,5-6,8,12H2
InChI Key:
IHXPLGFUXBRZCD-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)N1CCCOC1=O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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