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1017134-34-7 | 4-[(3-Methoxyphenyl)methyl]oxan-4-amine
CAS No: 1017134-34-7 Catalog No: AG01FC5T MDL No:
Product Description
Catalog Number:
AG01FC5T
Chemical Name:
4-[(3-Methoxyphenyl)methyl]oxan-4-amine
CAS Number:
1017134-34-7
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
4-[(3-methoxyphenyl)methyl]oxan-4-amine
InChI:
InChI=1S/C13H19NO2/c1-15-12-4-2-3-11(9-12)10-13(14)5-7-16-8-6-13/h2-4,9H,5-8,10,14H2,1H3
InChI Key:
AXLKDEIHCXIRPK-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC1(N)CCOCC1
Properties
Complexity:
214
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:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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