2,2-dichloro-N,N-bis(prop-2-en-1-yl)acetamide

• ChemBase ID: 156926
• Molecular Formular: C8H11Cl2NO
• Molecular Mass: 208.08504
• Monoisotopic Mass: 207.02176934
• SMILES: C=CCN(CC=C)C(=O)C(Cl)Cl
• Canonical SMILES: C=CCN(C(=O)C(Cl)Cl)CC=C
• InChI: InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2
• InChIKey: YRMLFORXOOIJDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dichloro-N,N-bis(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: 2,2-dichloro-N,N-bis(prop-2-en-1-yl)acetamide
• Synonyms: N,N-Diallyldichloroacetamide; Dichloromid; Dichlormid; N,N-二烯丙基二氯乙酰胺; 二氯丙烯胺; 烯丙酰草胺

Database IDs

• CAS Number: 37764-25-3
• EC Number: 253-658-8
• MDL Number: MFCD00072464
• PubChem SID: 162251063
• PubChem CID: 37829

CALCULATED PROPERTIES

• Acid pKa: 16.671162
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1610918
• LogD (pH = 7.4): 2.1610918
• Log P: 2.1610918
• Molar Refractivity: 52.5605 cm^3
• Polarizability: 19.905643 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: AB6080000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 22-23
• Safety Statements: 45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C8H11Cl2NO

DETAILS

Sigma Aldrich - 33613

Legal Information
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