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23597-82-2

23597-82-2 | 3-Pyridinecarboxylic acid, hexyl ester

CAS No: 23597-82-2 Catalog No: AG002NTH MDL No:MFCD00023587

Product Description

Catalog Number:
AG002NTH
Chemical Name:
3-Pyridinecarboxylic acid, hexyl ester
CAS Number:
23597-82-2
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD00023587
IUPAC Name:
hexyl pyridine-3-carboxylate
InChI:
InChI=1S/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3
InChI Key:
RVYGVBZGSFLJKH-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)c1cccnc1
EC Number:
245-767-4
UNII:
BN07PB44IV
NSC Number:
72758

Properties

Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Literature

Title Journal
Reactions of non-immunologic contact urticaria on scalp, face, and back. Skin research and technology : official journal of International Society for Bioengineering and the Skin (ISBS) [and] International Society for Digital Imaging of Skin (ISDIS) [and] International Society for Skin Imaging (ISSI) 20121101
Mapping the human face: biophysical properties. Skin research and technology : official journal of International Society for Bioengineering and the Skin (ISBS) [and] International Society for Digital Imaging of Skin (ISDIS) [and] International Society for Skin Imaging (ISSI) 20100201
Microneedle penetration and injection past the stratum corneum in humans. The Journal of dermatological treatment 20090101
Estimation of serum protein binding of compounds metabolized in serum using matrix inhibition. Biopharmaceutics & drug disposition 20080701
Functional map and age-related differences in the human face: nonimmunologic contact urticaria induced by hexyl nicotinate. Contact dermatitis 20060701
Permeation, metabolism and site of action concentration of nicotinic acid derivatives in human skin. Correlation with topical pharmacological effect. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20031001
Differences among moisturizers in affecting skin susceptibility to hexyl nicotinate, measured as time to increase skin blood flow. Skin research and technology : official journal of International Society for Bioengineering and the Skin (ISBS) [and] International Society for Digital Imaging of Skin (ISDIS) [and] International Society for Skin Imaging (ISSI) 20030201
Hydration vs. skin permeability to nicotinates in man. Skin research and technology : official journal of International Society for Bioengineering and the Skin (ISBS) [and] International Society for Digital Imaging of Skin (ISDIS) [and] International Society for Skin Imaging (ISSI) 20020201
Effect of drug lipophilicity on in vitro release rate from oil vehicles using nicotinic acid esters as model prodrug derivatives. International journal of pharmaceutics 20010323

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