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Home > Pyridines > 365542-42-3
365542-42-3 | 2-[2-[4-[2-methoxy-5-[2-(2-pyridyl)ethyl]phenoxy]phenyl]ethyl]pyridine dihydrochloride
CAS No: 365542-42-3 Catalog No: AG00JS47 MDL No:MFCD12546755
Product Description
Catalog Number:
AG00JS47
Chemical Name:
2-[2-[4-[2-methoxy-5-[2-(2-pyridyl)ethyl]phenoxy]phenyl]ethyl]pyridine dihydrochloride
CAS Number:
365542-42-3
Molecular Formula:
C27H28Cl2N2O2
Molecular Weight:
483.4294
MDL Number:
MFCD12546755
IUPAC Name:
2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine;dihydrochloride
InChI:
InChI=1S/C27H26N2O2.2ClH/c1-30-26-17-12-22(9-14-24-7-3-5-19-29-24)20-27(26)31-25-15-10-21(11-16-25)8-13-23-6-2-4-18-28-23;;/h2-7,10-12,15-20H,8-9,13-14H2,1H3;2*1H
InChI Key:
LWFIMCRMKZUDEN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Oc1ccc(cc1)CCc1ccccn1)CCc1ccccn1.Cl.Cl
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.153g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
483.433g/mol
Monoisotopic Mass:
482.153g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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