5,6-dimethyl-2-(methylamino)pyrimidin-4-yl N,N-dimethylcarbamate

• ChemBase ID: 157295
• Molecular Formular: C10H16N4O2
• Molecular Mass: 224.25964
• Monoisotopic Mass: 224.12732577
• SMILES: Cc1c(nc(nc1OC(=O)N(C)C)NC)C
• Canonical SMILES: CNc1nc(OC(=O)N(C)C)c(c(n1)C)C
• InChI: InChI=1S/C10H16N4O2/c1-6-7(2)12-9(11-3)13-8(6)16-10(15)14(4)5/h1-5H3,(H,11,12,13)
• InChIKey: GTKRZJVAXAQBMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-2-(methylamino)pyrimidin-4-yl N,N-dimethylcarbamate
• IUPAC Traditional name: 5,6-dimethyl-2-(methylamino)pyrimidin-4-yl N,N-dimethylcarbamate
• Synonyms: 5,6-Dimethyl-2-methylamino-4-pyrimidinyl dimethylcarbamate; Desmethyl-pirimicarb; 5,6-二甲基-2-甲基氨基-4-嘧啶二甲基氨基甲酸酯; 脱甲基-抗蚜威

Database IDs

• CAS Number: 30614-22-3
• MDL Number: MFCD01940516
• PubChem SID: 24860580; 162251432
• PubChem CID: 93139

CALCULATED PROPERTIES

• Acid pKa: 16.999039
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0036908
• LogD (pH = 7.4): 1.159213
• Log P: 1.1616162
• Molar Refractivity: 62.4108 cm^3
• Polarizability: 22.51082 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 25-36/37/38-50/53
• Safety Statements: 26-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H315-H319-H335-H400
• GHS Precautionary statements: P261-P264-P273-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C10H16N4O2

DETAILS

Sigma Aldrich - 33886

Legal Information
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