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1000550-74-2 | Benzeneethanamine, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 1000550-74-2 Catalog No: AG0000QG MDL No:MFCD09924455
Product Description
Catalog Number:
AG0000QG
Chemical Name:
Benzeneethanamine, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
1000550-74-2
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
MDL Number:
MFCD09924455
IUPAC Name:
2-[4-(oxan-2-yloxy)phenyl]ethanamine
InChI:
InChI=1S/C13H19NO2/c14-9-8-11-4-6-12(7-5-11)16-13-3-1-2-10-15-13/h4-7,13H,1-3,8-10,14H2
InChI Key:
IKOLRHUUOFOGAM-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1)OC1CCCCO1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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