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101718-50-7 | 1-Propanone, 1-(4-methoxyphenyl)-2-[methyl(phenylmethyl)amino]-
CAS No: 101718-50-7 Catalog No: AG0005B4 MDL No:
Product Description
Catalog Number:
AG0005B4
Chemical Name:
1-Propanone, 1-(4-methoxyphenyl)-2-[methyl(phenylmethyl)amino]-
CAS Number:
101718-50-7
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
IUPAC Name:
2-[benzyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C18H21NO2/c1-14(19(2)13-15-7-5-4-6-8-15)18(20)16-9-11-17(21-3)12-10-16/h4-12,14H,13H2,1-3H3
InChI Key:
ZHNPESKZBDMMKG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C(N(Cc1ccccc1)C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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