(2H7)naphthalen-1-yl N-methylcarbamate

• ChemBase ID: 163622
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: c12c(cccc1OC(=O)NC)cccc2
• Canonical SMILES: CNC(=O)Oc1cccc2c1cccc2
• InChI: InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)
• InChIKey: CVXBEEMKQHEXEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₇)naphthalen-1-yl N-methylcarbamate
• IUPAC Traditional name: (^2H₇)naphthalen-1-yl N-methylcarbamate
• Synonyms: 1-Naphthyl-d7 N-Methylcarbamate; 1-Naphthalenol Methylcarbamate-d7; 1-Naphtyl N-Methylcarbamate-d7; ENT-23969-d7; OMS-29-d7; UC-7744-d7; Carylderm-d7; Derbac-d7; Ravyon-d7; Sevin-d7; Carbaryl-d7

Database IDs

• CAS Number: 362049-56-7
• PubChem SID: 162257757
• PubChem CID: 45038548

CALCULATED PROPERTIES

• Acid pKa: 14.770017
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.460114
• LogD (pH = 7.4): 2.460114
• Log P: 2.460114
• Molar Refractivity: 57.214 cm^3
• Polarizability: 23.448723 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Cyclohexanone; Dimethylformamide
• Apperance: Crystalline Solid
• Melting Point: 142°C

DETAILS

Toronto Research Chemicals - C175897

Labelled Carbaryl (C175895). Cholinesterase inhibitor. Ectoparasiticide.

REFERENCES

• Chauzat, M., et al.: Env. Entomol., 38, 514 (2009)
• Raut, P., et al.: Pestol., 33, 21 (2009)
• Henseler, R., et al.: Toxicol., 261, 9 (2009)
• Banerjee, K., et al.: J. Agric. Food Chem., 57, 4068 (2009)