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24588-99-6 | 1-Piperidineethanol, α-[(2-phenoxyphenoxy)methyl]-, hydrochloride (1:1)
CAS No: 24588-99-6 Catalog No: AG002ONF MDL No:
Product Description
Catalog Number:
AG002ONF
Chemical Name:
1-Piperidineethanol, α-[(2-phenoxyphenoxy)methyl]-, hydrochloride (1:1)
CAS Number:
24588-99-6
Molecular Formula:
C20H26ClNO3
Molecular Weight:
363.8783
IUPAC Name:
1-(2-phenoxyphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
InChI:
InChI=1S/C20H25NO3.ClH/c22-17(15-21-13-7-2-8-14-21)16-23-19-11-5-6-12-20(19)24-18-9-3-1-4-10-18;/h1,3-6,9-12,17,22H,2,7-8,13-16H2;1H
InChI Key:
PMEJJZNCSUHAEB-UHFFFAOYSA-N
SMILES:
OC(CN1CCCCC1)COc1ccccc1Oc1ccccc1.Cl
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.16g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.882g/mol
Monoisotopic Mass:
363.16g/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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