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145060-53-3 | Benzenepropanamine, N-[(4-methoxyphenyl)methylene]-
CAS No: 145060-53-3 Catalog No: AG001KIX MDL No:
Product Description
Catalog Number:
AG001KIX
Chemical Name:
Benzenepropanamine, N-[(4-methoxyphenyl)methylene]-
CAS Number:
145060-53-3
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
1-(4-methoxyphenyl)-N-(3-phenylpropyl)methanimine
InChI:
InChI=1S/C17H19NO/c1-19-17-11-9-16(10-12-17)14-18-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,14H,5,8,13H2,1H3
InChI Key:
OVLKRQKPIPMWIJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=NCCCc1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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