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20800-21-9 | 1-Propanone, 1-[4-[2-(1-piperidinyl)ethoxy]phenyl]-, hydrochloride (1:1)
CAS No: 20800-21-9 Catalog No: AG002JF8 MDL No:
Product Description
Catalog Number:
AG002JF8
Chemical Name:
1-Propanone, 1-[4-[2-(1-piperidinyl)ethoxy]phenyl]-, hydrochloride (1:1)
CAS Number:
20800-21-9
Molecular Formula:
C16H24ClNO2
Molecular Weight:
297.8203
IUPAC Name:
1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one;hydrochloride
InChI:
InChI=1S/C16H23NO2.ClH/c1-2-16(18)14-6-8-15(9-7-14)19-13-12-17-10-4-3-5-11-17;/h6-9H,2-5,10-13H2,1H3;1H
InChI Key:
BULPTRZIVYADRL-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(cc1)OCCN1CCCCC1.Cl
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.15g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.823g/mol
Monoisotopic Mass:
297.15g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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