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91-03-2 | 3-Dimethylamino-2-methylpropiophenone
CAS No: 91-03-2 Catalog No: AG003JD8 MDL No:MFCD00025682
Product Description
Catalog Number:
AG003JD8
Chemical Name:
3-Dimethylamino-2-methylpropiophenone
CAS Number:
91-03-2
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD00025682
IUPAC Name:
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
InChI Key:
IBKTXALXQACSRE-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ccccc1)CN(C)C
EC Number:
202-035-9
NSC Number:
163946
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Determination of procarbazine in human plasma by liquid chromatography with electrospray ionization mass spectrometry. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20040125 |
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