2-[2-(2,5-dimethylphenoxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide

• ChemBase ID: 156884
• Molecular Formular: C19H22N2O3
• Molecular Mass: 326.38958
• Monoisotopic Mass: 326.16304257
• SMILES: Cc1ccc(c(c1)OCc1ccccc1/C(=N/OC)/C(=O)NC)C
• Canonical SMILES: CO/N=C(/c1ccccc1COc1cc(C)ccc1C)\C(=O)NC
• InChI: InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)
• InChIKey: WXUZAHCNPWONDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2,5-dimethylphenoxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide
• IUPAC Traditional name: 2-[2-(2,5-dimethylphenoxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide
• Synonyms: (E)-2-(2,5-Dimethylphenoxymethyl)-α-methoxyimino-N-methylphenylacetamide; Dimoxystrobin; (E)-2-(2,5-二甲基苯氧甲基)-α-甲氧亚胺基-N-甲苯基乙酰胺; 醚菌胺

Database IDs

• CAS Number: 149961-52-4
• MDL Number: MFCD05664707
• Beilstein Number: 8430159
• PubChem SID: 24860275; 162251021
• PubChem CID: 9797414

CALCULATED PROPERTIES

• Polarizability: 35.937557 Å^3
• Polar Surface Area: 59.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 14.67665
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.8882878
• LogD (pH = 7.4): 3.888306
• Log P: 3.8883061
• Molar Refractivity: 94.4368 cm^3

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20-50/53
• Safety Statements: 60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H332-H400
• GHS Precautionary statements: P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C19H22N2O3

DETAILS

Sigma Aldrich - 33499

Legal Information
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