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868849-49-4 | [4-(3-Methoxyphenyl)oxan-4-yl]methanamine
CAS No: 868849-49-4 Catalog No: AG01FBQP MDL No:
Product Description
Catalog Number:
AG01FBQP
Chemical Name:
[4-(3-Methoxyphenyl)oxan-4-yl]methanamine
CAS Number:
868849-49-4
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
InChI:
InChI=1S/C13H19NO2/c1-15-12-4-2-3-11(9-12)13(10-14)5-7-16-8-6-13/h2-4,9H,5-8,10,14H2,1H3
InChI Key:
VCRKYGDZXSUHJM-UHFFFAOYSA-N
SMILES:
NCC1(CCOCC1)c1cccc(c1)OC
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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