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20800-16-2 | 1-Propanone, 1-[4-methoxy-2-[2-(1-piperidinyl)ethoxy]phenyl]-, hydrochloride (1:1)
CAS No: 20800-16-2 Catalog No: AG002JFB MDL No:
Product Description
Catalog Number:
AG002JFB
Chemical Name:
1-Propanone, 1-[4-methoxy-2-[2-(1-piperidinyl)ethoxy]phenyl]-, hydrochloride (1:1)
CAS Number:
20800-16-2
Molecular Formula:
C17H26ClNO3
Molecular Weight:
327.8462
IUPAC Name:
1-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-1-one;hydrochloride
InChI:
InChI=1S/C17H25NO3.ClH/c1-3-16(19)15-8-7-14(20-2)13-17(15)21-12-11-18-9-5-4-6-10-18;/h7-8,13H,3-6,9-12H2,1-2H3;1H
InChI Key:
FEGHGROBTOZSJJ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(cc1OCCN1CCCCC1)OC.Cl
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.16g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.849g/mol
Monoisotopic Mass:
327.16g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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