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79858-39-2 | Phenol, 2-[(dodecylamino)methyl]-
CAS No: 79858-39-2 Catalog No: AG00554Z MDL No:
Product Description
Catalog Number:
AG00554Z
Chemical Name:
Phenol, 2-[(dodecylamino)methyl]-
CAS Number:
79858-39-2
Molecular Formula:
C19H33NO
Molecular Weight:
291.4714
IUPAC Name:
2-[(dodecylamino)methyl]phenol
InChI:
InChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-9-10-13-16-20-17-18-14-11-12-15-19(18)21/h11-12,14-15,20-21H,2-10,13,16-17H2,1H3
InChI Key:
UZCNFBQYJDZBRH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNCc1ccccc1O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.256g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.479g/mol
Monoisotopic Mass:
291.256g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of aminomethylphenol derivatives as inhibitors of the murine GABA transporters mGAT1-mGAT4. | European journal of medicinal chemistry 20081101 |
| Synthesis and antitubercular activity of substituted phenylmethyl- and pyridylmethyl amines. | Bioorganic & medicinal chemistry 20061215 |
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