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167144-79-8 | 3-Pyrrolidinol, 5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methyl-, (3R,5R)-
CAS No: 167144-79-8 Catalog No: AG001X5Q MDL No:
Product Description
Catalog Number:
AG001X5Q
Chemical Name:
3-Pyrrolidinol, 5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methyl-, (3R,5R)-
CAS Number:
167144-79-8
Molecular Formula:
C22H29NO3
Molecular Weight:
355.4706
IUPAC Name:
5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-1-ium-3-ol;chloride
InChI:
InChI=1S/C22H29NO3.ClH/c1-23-16-20(24)15-19(23)12-13-26-22-9-4-3-7-18(22)11-10-17-6-5-8-21(14-17)25-2;/h3-9,14,19-20,24H,10-13,15-16H2,1-2H3;1H
InChI Key:
OUKRSTJUAQEATQ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CCc1ccccc1OCC[C@@H]1C[C@H](CN1C)O
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.191g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
391.936g/mol
Monoisotopic Mass:
391.191g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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