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Home > Pyridines > 365542-49-0
365542-49-0 | 4-[2-[3-methoxy-4-[4-[2-(4-pyridyl)ethyl]phenoxy]phenyl]ethyl]pyridine dihydrochloride
CAS No: 365542-49-0 Catalog No: AG00JS6B MDL No:MFCD12546830
Product Description
Catalog Number:
AG00JS6B
Chemical Name:
4-[2-[3-methoxy-4-[4-[2-(4-pyridyl)ethyl]phenoxy]phenyl]ethyl]pyridine dihydrochloride
CAS Number:
365542-49-0
Molecular Formula:
C27H28Cl2N2O2
Molecular Weight:
483.4294
MDL Number:
MFCD12546830
IUPAC Name:
4-[2-[3-methoxy-4-[4-(2-pyridin-4-ylethyl)phenoxy]phenyl]ethyl]pyridine;dihydrochloride
InChI:
InChI=1S/C27H26N2O2.2ClH/c1-30-27-20-24(5-4-23-14-18-29-19-15-23)8-11-26(27)31-25-9-6-21(7-10-25)2-3-22-12-16-28-17-13-22;;/h6-20H,2-5H2,1H3;2*1H
InChI Key:
FKHUYTGQZDBWSR-UHFFFAOYSA-N
SMILES:
COc1cc(CCc2ccncc2)ccc1Oc1ccc(cc1)CCc1ccncc1.Cl.Cl
Properties
Complexity:
482
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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