2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate

• ChemBase ID: 129004
• Molecular Formular: C11H18N4O2
• Molecular Mass: 238.28622
• Monoisotopic Mass: 238.14297584
• SMILES: Cc1c(nc(nc1OC(=O)N(C)C)N(C)C)C
• Canonical SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C
• InChI: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
• InChIKey: YFGYUFNIOHWBOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate
• IUPAC Traditional name: pirimicarb
• Synonyms: Pirimicarb; 2-Dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate; Pirimicarb; Pirimicarb solution; 2-二甲氨基-5,6-二甲基嘧啶-4-二甲基氨基甲酸酯; 抗蚜威; 抗蚜威 溶液

Database IDs

• CAS Number: 23103-98-2
• EC Number: 200-835-2; 245-430-1
• MDL Number: MFCD00055520
• Beilstein Number: 663442
• PubChem SID: 24869352; 162223306; 24899289; 24869146
• PubChem CID: 31645
• KEGG ID: C11079
• Wikipedia Title: Pirimicarb

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6808355
• LogD (pH = 7.4): 1.7952045
• Log P: 1.796882
• Molar Refractivity: 66.6456 cm^3
• Polarizability: 24.34069 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >100 °C; >212 °F; 2 °C; 35.6 °F

Safety Information

• RTECS: EZ9100000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 1648; 2811
• German water hazard class: 2; 3
• Hazard Class: 3; 6.1
• Packing Group: 2; 3
• Risk Statements: 11-20/21/22-36; 25-50/53
• Safety Statements: 16-36/37; 22-37-45-60-61
• GHS Pictograms: GHS02; GHS06; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H319-H332; H301-H410
• GHS Precautionary statements: P210-P280-P305 + P351 + P338; P273-P301 + P310-P501; P273-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1648 3/PG 2; UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Concentration: 100 ng/μL in acetonitrile
• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 1000 mg
• Empirical Formula (Hill Notation): C11H18N4O2

DETAILS

Sigma Aldrich - 31560

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Sigma Aldrich - 45627

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PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 45894

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PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH