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87579-03-1 | Benzenamine, N-[(4-ethoxyphenyl)methylene]-4-(hexyloxy)-
CAS No: 87579-03-1 Catalog No: AG004MC6 MDL No:
Product Description
Catalog Number:
AG004MC6
Chemical Name:
Benzenamine, N-[(4-ethoxyphenyl)methylene]-4-(hexyloxy)-
CAS Number:
87579-03-1
Molecular Formula:
C21H27NO2
Molecular Weight:
325.4446
IUPAC Name:
1-(4-ethoxyphenyl)-N-(4-hexoxyphenyl)methanimine
InChI:
InChI=1S/C21H27NO2/c1-3-5-6-7-16-24-21-14-10-19(11-15-21)22-17-18-8-12-20(13-9-18)23-4-2/h8-15,17H,3-7,16H2,1-2H3
InChI Key:
WQPHZLPIJZHHPC-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)N=Cc1ccc(cc1)OCC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.204g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.452g/mol
Monoisotopic Mass:
325.204g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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