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20809-07-8 | 1-Propanone, 1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-, hydrochloride (1:1)
CAS No: 20809-07-8 Catalog No: AG002JGW MDL No:
Product Description
Catalog Number:
AG002JGW
Chemical Name:
1-Propanone, 1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-, hydrochloride (1:1)
CAS Number:
20809-07-8
Molecular Formula:
C16H26ClNO3
Molecular Weight:
315.8355
IUPAC Name:
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]propan-1-one;hydrochloride
InChI:
InChI=1S/C16H25NO3.ClH/c1-5-15(18)14-9-8-13(19-4)12-16(14)20-11-10-17(6-2)7-3;/h8-9,12H,5-7,10-11H2,1-4H3;1H
InChI Key:
XIXRSICLXMAOJX-UHFFFAOYSA-N
SMILES:
CCN(CCOc1cc(OC)ccc1C(=O)CC)CC.Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.16g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.838g/mol
Monoisotopic Mass:
315.16g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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