2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl N,N-bis(2H3)methylcarbamate

• ChemBase ID: 157145
• Molecular Formular: C11H18N4O2
• Molecular Mass: 238.28622
• Monoisotopic Mass: 238.14297584
• SMILES: CN(C(=O)Oc1c(c(nc(n1)N(C)C)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-bis(^2H₃)methylcarbamate
• IUPAC Traditional name: 2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl N,N-bis(^2H₃)methylcarbamate
• Synonyms: 2-Dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethyl-d6-carbamate; Pirimicarb-d6; 2-二甲氨基-5,6-二甲基-4-嘧啶基二甲基-d6-氨基甲酸酯; 抗蚜威-d6

Database IDs

• CAS Number: 1015854-66-6
• MDL Number: MFCD08273890
• PubChem SID: 24861027; 162251282
• PubChem CID: 16212241

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: 24.340702 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
• Mass Shift: M+6

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-50/53
• Safety Statements: 22-37-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H410
• GHS Precautionary statements: P273-P301 + P310-P501
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C11D6H12N4O2

DETAILS

Sigma Aldrich - 34209

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH