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114516-30-2 | Hexadecanamide, N-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
CAS No: 114516-30-2 Catalog No: AG000EMI MDL No:
Product Description
Catalog Number:
AG000EMI
Chemical Name:
Hexadecanamide, N-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
CAS Number:
114516-30-2
Molecular Formula:
C30H53NO2
Molecular Weight:
459.7473
IUPAC Name:
N-(3,5-ditert-butyl-4-hydroxyphenyl)hexadecanamide
InChI:
InChI=1S/C30H53NO2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(32)31-24-22-25(29(2,3)4)28(33)26(23-24)30(5,6)7/h22-23,33H,8-21H2,1-7H3,(H,31,32)
InChI Key:
FLIHCRMHDCZRGS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.408g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
459.759g/mol
Monoisotopic Mass:
459.408g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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