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26171-50-6 | 1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2S)-
CAS No: 26171-50-6 Catalog No: AG002RYY MDL No:
Product Description
Catalog Number:
AG002RYY
Chemical Name:
1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, (2S)-
CAS Number:
26171-50-6
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
(2S)-3-(dimethylamino)-2-methyl-1-phenylpropan-1-one
InChI:
InChI=1S/C12H17NO/c1-10(9-13(2)3)12(14)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t10-/m0/s1
InChI Key:
IBKTXALXQACSRE-JTQLQIEISA-N
SMILES:
C[C@H](C(=O)c1ccccc1)CN(C)C
UNII:
1KVR8A1P9O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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