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20809-04-5 | 1-Propanone, 1-[4-[2-(dimethylamino)ethoxy]phenyl]-, hydrochloride (1:1)
CAS No: 20809-04-5 Catalog No: AG002JGX MDL No:
Product Description
Catalog Number:
AG002JGX
Chemical Name:
1-Propanone, 1-[4-[2-(dimethylamino)ethoxy]phenyl]-, hydrochloride (1:1)
CAS Number:
20809-04-5
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
IUPAC Name:
1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-1-one;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-4-13(15)11-5-7-12(8-6-11)16-10-9-14(2)3;/h5-8H,4,9-10H2,1-3H3;1H
InChI Key:
OMCFYSUCKBBAJS-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(cc1)OCCN(C)C.Cl
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.758g/mol
Monoisotopic Mass:
257.118g/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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