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89032-20-2 | Pyridine, 3,4-bis(1,1-dimethylethyl)-
CAS No: 89032-20-2 Catalog No: AG0043YN MDL No:
Product Description
Catalog Number:
AG0043YN
Chemical Name:
Pyridine, 3,4-bis(1,1-dimethylethyl)-
CAS Number:
89032-20-2
Molecular Formula:
C13H21N
Molecular Weight:
191.3125
IUPAC Name:
3,4-ditert-butylpyridine
InChI:
InChI=1S/C13H21N/c1-12(2,3)10-7-8-14-9-11(10)13(4,5)6/h7-9H,1-6H3
InChI Key:
NVQUMACQCJVKOB-UHFFFAOYSA-N
SMILES:
CC(c1cnccc1C(C)(C)C)(C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.318g/mol
Monoisotopic Mass:
191.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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