butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate

• ChemBase ID: 127780
• Molecular Formular: C12H23NO3
• Molecular Mass: 229.31592
• Monoisotopic Mass: 229.1677936
• SMILES: O=C(OC(C)CC)N1C(CCO)CCCC1
• Canonical SMILES: OCCC1CCCCN1C(=O)OC(CC)C
• InChI: InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3
• InChIKey: QLHULAHOXSSASE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate
• IUPAC Traditional name: icaridin
• Synonyms: Picaridin-d3; 2-(2-Hydroxyethyl)-1-piperidinecarboxylic Acid 1-Methyl-d3-propyl Ester; Icaridin-d3; KBR 3023-d3; Bayrepel-d3; 2-(2-Hydroxyethyl)-1-piperidinecarboxylic Acid 1-Methyl-propyl Ester; Icaridin; KBR 3023; Bayrepel; Picaridin; Icaridin

Database IDs

• CAS Number: 119515-38-7
• PubChem SID: 162222098
• PubChem CID: 125098
• Chemspider ID: 111359
• Wikipedia Title: Icaridin

CALCULATED PROPERTIES

• Acid pKa: 15.923175
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6122513
• LogD (pH = 7.4): 1.6122513
• Log P: 1.6122513
• Molar Refractivity: 62.5442 cm^3
• Polarizability: 24.640623 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Methanol; Water
• Apperance: Clear Colourless Oil; Colorless Liquid
• Boiling Point: 280°C; 296°C

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - P436000

Acts on certain olfactory receptor cell types to reduce the activating or attracting effect of odor sources.Insect repellent.

Toronto Research Chemicals - P436002

Acts on certain olfactory receptor cell types to reduce the activating or attracting effect of odor sources.Insect repellent.

REFERENCES

• Boeckh, J., et al.: Pestic. Sci., 48, 359 (1996)
• Yap, H.H., et al.: J. Vector Ecol., 23, 62 (1996)
• Boeckh, J., et al.: Pestic. Sci., 48, 359 (1996)
• Yap, H.H., et al.: J. Vector Ecol., 23, 62 (1996)