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88-27-7 | N,N-dimethyl-3,5-di-tert-butyl-4-hydroxybenzylamine
CAS No: 88-27-7 Catalog No: AG003G66 MDL No:MFCD00026283
Product Description
Catalog Number:
AG003G66
Chemical Name:
N,N-dimethyl-3,5-di-tert-butyl-4-hydroxybenzylamine
CAS Number:
88-27-7
Molecular Formula:
C17H29NO
Molecular Weight:
263.4183
MDL Number:
MFCD00026283
IUPAC Name:
2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol
InChI:
InChI=1S/C17H29NO/c1-16(2,3)13-9-12(11-18(7)8)10-14(15(13)19)17(4,5)6/h9-10,19H,11H2,1-8H3
InChI Key:
VMZVBRIIHDRYGK-UHFFFAOYSA-N
SMILES:
CN(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C
EC Number:
201-816-1
UNII:
8TK6VR2KYX
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.225g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.425g/mol
Monoisotopic Mass:
263.225g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Anaerobic toxicity assay of plasticisers. | Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20120101 |
| Discovery of novel SERCA inhibitors by virtual screening of a large compound library. | European journal of medicinal chemistry 20110501 |
| Bis(1,2,2,6,6-penta-methyl-piperidin-4-yl) 2-butyl-2-(3,5-di-tert-butyl-4-hydroxy-benz-yl)malonate (Tinuvin 144). | Acta crystallographica. Section E, Structure reports online 20091001 |
| Dimethyl 2-butyl-2-(3,5-di-tert-butyl-4-hydroxy-benz-yl)malonate. | Acta crystallographica. Section E, Structure reports online 20091001 |
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | Journal of molecular graphics & modelling 20061101 |
| 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 |
| Steroid hormone activity of flavonoids and related compounds. | Breast cancer research and treatment 20000701 |
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