1-(dimethylcarbamoyl)-5-methyl-1H-pyrazol-3-yl N,N-dimethylcarbamate

• ChemBase ID: 127098
• Molecular Formular: C10H16N4O3
• Molecular Mass: 240.25904
• Monoisotopic Mass: 240.12224039
• SMILES: O=C(n1nc(OC(=O)N(C)C)cc1C)N(C)C
• Canonical SMILES: O=C(N(C)C)Oc1nn(c(c1)C)C(=O)N(C)C
• InChI: InChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,1-5H3
• InChIKey: RDBIYWSVMRVKSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethylcarbamoyl)-5-methyl-1H-pyrazol-3-yl N,N-dimethylcarbamate
• IUPAC Traditional name: dimetilan
• Synonyms: Dimetilan; Dimetilan; 敌蝇威

Database IDs

• CAS Number: 644-64-4
• EC Number: 211-420-0
• MDL Number: MFCD00078688
• Beilstein Number: 889837
• PubChem SID: 162221421; 24868925
• PubChem CID: 12572
• Chemspider ID: 12052
• Wikipedia Title: Dimetilan

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.22613193
• LogD (pH = 7.4): 0.22613195
• Log P: 0.22613195
• Molar Refractivity: 62.5515 cm^3
• Polarizability: 23.133358 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: EZ9084000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 21-25-50/53
• Safety Statements: 36/37-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P501
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C10H16N4O3

DETAILS

Sigma Aldrich - 45450

Legal Information
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