Benzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-, hexyl ester


Chemical Name: Benzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-, hexyl ester
CAS Number: 302776-68-7
Product Number: AG002ZG6(AGN-PC-0MYYCK)
Synonyms:
MDL No:
Molecular Formula: C24H31NO4
Molecular Weight: 397.5072

Identification/Properties


Computed Properties
Molecular Weight:
397.515g/mol
XLogP3:
6.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
12
Exact Mass:
397.225g/mol
Monoisotopic Mass:
397.225g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
505
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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