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799-25-7 | Phenol, 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-bis(1,1-dimethylethyl)-
CAS No: 799-25-7 Catalog No: AG0054WD MDL No:
Product Description
Catalog Number:
AG0054WD
Chemical Name:
Phenol, 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-bis(1,1-dimethylethyl)-
CAS Number:
799-25-7
Molecular Formula:
C19H33NO3
Molecular Weight:
323.4702
IUPAC Name:
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol
InChI:
InChI=1S/C19H33NO3/c1-18(2,3)15-11-14(13-20(7-9-21)8-10-22)12-16(17(15)23)19(4,5)6/h11-12,21-23H,7-10,13H2,1-6H3
InChI Key:
WUXCIWVRVOPALZ-UHFFFAOYSA-N
SMILES:
OCCN(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CCO
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.246g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
323.477g/mol
Monoisotopic Mass:
323.246g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors. | Journal of medicinal chemistry 20081113 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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