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1076199-04-6 | 4-{2-[(5-BENZYLOXYPYRIDIN-2-YL)METHYLAMINO]ETHOXY}BENZALDEHYDE
CAS No: 1076199-04-6 Catalog No: AG0084KZ MDL No:
Product Description
Catalog Number:
AG0084KZ
Chemical Name:
4-{2-[(5-BENZYLOXYPYRIDIN-2-YL)METHYLAMINO]ETHOXY}BENZALDEHYDE
CAS Number:
1076199-04-6
Molecular Formula:
C22H22N2O3
Molecular Weight:
362.4217
IUPAC Name:
4-[2-[(5-phenylmethoxypyridin-2-yl)methylamino]ethoxy]benzaldehyde
InChI:
InChI=1S/C22H22N2O3/c25-16-18-6-9-21(10-7-18)26-13-12-23-14-20-8-11-22(15-24-20)27-17-19-4-2-1-3-5-19/h1-11,15-16,23H,12-14,17H2
InChI Key:
TXVNFZNHKHYYKM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCNCc1ccc(cn1)OCc1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.429g/mol
Monoisotopic Mass:
362.163g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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