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823234-66-8 | Benzeneethanamine, 4-methoxy-3-(2-methoxyethoxy)-
CAS No: 823234-66-8 Catalog No: AG004YRE MDL No:
Product Description
Catalog Number:
AG004YRE
Chemical Name:
Benzeneethanamine, 4-methoxy-3-(2-methoxyethoxy)-
CAS Number:
823234-66-8
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
IUPAC Name:
2-[4-methoxy-3-(2-methoxyethoxy)phenyl]ethanamine
InChI:
InChI=1S/C12H19NO3/c1-14-7-8-16-12-9-10(5-6-13)3-4-11(12)15-2/h3-4,9H,5-8,13H2,1-2H3
InChI Key:
MFWBRXHQYDDWNZ-UHFFFAOYSA-N
SMILES:
COCCOc1cc(CCN)ccc1OC
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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