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310-35-0 | 1-Propanone, 3-(dimethylamino)-2-methyl-2-phenoxy-1-phenyl-, hydrochloride (1:1)
CAS No: 310-35-0 Catalog No: AG0031W9 MDL No:
Product Description
Catalog Number:
AG0031W9
Chemical Name:
1-Propanone, 3-(dimethylamino)-2-methyl-2-phenoxy-1-phenyl-, hydrochloride (1:1)
CAS Number:
310-35-0
Molecular Formula:
C18H22ClNO2
Molecular Weight:
319.8258
IUPAC Name:
3-(dimethylamino)-2-methyl-2-phenoxy-1-phenylpropan-1-one
InChI:
InChI=1S/C18H21NO2/c1-18(14-19(2)3,21-16-12-8-5-9-13-16)17(20)15-10-6-4-7-11-15/h4-13H,14H2,1-3H3
InChI Key:
CVYKYMGNMPBBKM-UHFFFAOYSA-N
SMILES:
CN(CC(C(=O)c1ccccc1)(Oc1ccccc1)C)C.Cl
Properties
Complexity:
330
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:
3.6
Literature
| Title | Journal |
|---|---|
| Mechanism-based inactivation of thioredoxin reductase from Plasmodium falciparum by Mannich bases. Implication for cytotoxicity. | Biochemistry 20031118 |
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