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Home > Pyridines > 252048-82-1
252048-82-1 | Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[(2-pyridinylmethyl)imino]methyl]-
CAS No: 252048-82-1 Catalog No: AG002QX6 MDL No:
Product Description
Catalog Number:
AG002QX6
Chemical Name:
Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[(2-pyridinylmethyl)imino]methyl]-
CAS Number:
252048-82-1
Molecular Formula:
C21H28N2O
Molecular Weight:
324.4598
IUPAC Name:
2,4-ditert-butyl-6-(pyridin-2-ylmethyliminomethyl)phenol
InChI:
InChI=1S/C21H28N2O/c1-20(2,3)16-11-15(19(24)18(12-16)21(4,5)6)13-22-14-17-9-7-8-10-23-17/h7-13,24H,14H2,1-6H3
InChI Key:
QVFGYBVIZKASNC-UHFFFAOYSA-N
SMILES:
Oc1c(C=NCc2ccccn2)cc(cc1C(C)(C)C)C(C)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.22g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.468g/mol
Monoisotopic Mass:
324.22g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Spin interaction in octahedral zinc complexes of mono- and diradical Schiff and mannich bases. | Inorganic chemistry 20100118 |
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