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24619-86-1 | Phenol, 4-[(diethylamino)methyl]-
CAS No: 24619-86-1 Catalog No: AG002OSZ MDL No:
Product Description
Catalog Number:
AG002OSZ
Chemical Name:
Phenol, 4-[(diethylamino)methyl]-
CAS Number:
24619-86-1
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
4-(diethylaminomethyl)phenol
InChI:
InChI=1S/C11H17NO/c1-3-12(4-2)9-10-5-7-11(13)8-6-10/h5-8,13H,3-4,9H2,1-2H3
InChI Key:
MAFHOFLRHFJFSE-UHFFFAOYSA-N
SMILES:
CCN(Cc1ccc(cc1)O)CC
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Hologram QSAR models of 4-[(diethylamino)methyl]-phenol inhibitors of acetyl/butyrylcholinesterase enzymes as potential anti-Alzheimer agents. | Molecules (Basel, Switzerland) 20120809 |
| Synthesis of 4-[(diethylamino)methyl]-phenol derivatives as novel cholinesterase inhibitors with selectivity towards butyrylcholinesterase. | Bioorganic & medicinal chemistry letters 20100601 |
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