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898289-33-3 | 1-[2-(Tetrahydro-2H-pyran-4-yloxy)phenyl]methanamine
CAS No: 898289-33-3 Catalog No: AG00394X MDL No:MFCD09025871
Product Description
Catalog Number:
AG00394X
Chemical Name:
1-[2-(Tetrahydro-2H-pyran-4-yloxy)phenyl]methanamine
CAS Number:
898289-33-3
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD09025871
IUPAC Name:
[2-(oxan-4-yloxy)phenyl]methanamine
InChI:
InChI=1S/C12H17NO2/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-4,11H,5-9,13H2
InChI Key:
RYSYBWINUIGVGZ-UHFFFAOYSA-N
SMILES:
NCc1ccccc1OC1CCOCC1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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