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26327-70-8 | 1-Piperidineethanol, α-[[2-(2-methylphenoxy)phenoxy]methyl]-, hydrochloride (1:1)
CAS No: 26327-70-8 Catalog No: AG002SRF MDL No:
Product Description
Catalog Number:
AG002SRF
Chemical Name:
1-Piperidineethanol, α-[[2-(2-methylphenoxy)phenoxy]methyl]-, hydrochloride (1:1)
CAS Number:
26327-70-8
Molecular Formula:
C21H28ClNO3
Molecular Weight:
377.9049
IUPAC Name:
1-[2-(2-methylphenoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride
InChI:
InChI=1S/C21H27NO3.ClH/c1-17-9-3-4-10-19(17)25-21-12-6-5-11-20(21)24-16-18(23)15-22-13-7-2-8-14-22;/h3-6,9-12,18,23H,2,7-8,13-16H2,1H3;1H
InChI Key:
KSHRTWKYXYDLBE-UHFFFAOYSA-N
SMILES:
OC(CN1CCCCC1)COc1ccccc1Oc1ccccc1C.Cl
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.176g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.909g/mol
Monoisotopic Mass:
377.176g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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