2-iodoacetamide

• ChemBase ID: 90360
• Molecular Formular: C2H4INO
• Molecular Mass: 184.96373
• Monoisotopic Mass: 184.93376175
• SMILES: ICC(=O)N
• Canonical SMILES: NC(=O)CI
• InChI: InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)
• InChIKey: PGLTVOMIXTUURA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodoacetamide
• IUPAC Traditional name: iodoacetamide
• Synonyms: Iodoacetamide; IAN; alpha-Iodoacetamide; Monoiodoacetamide; 2-Iodoacetamide; Surauto; IODOACETAMIDE; 2-Iodoacetamide; 2-Iodoacetamide; 碘代乙酰胺; 2-碘乙酰胺

Database IDs

• CAS Number: 144-48-9
• EC Number: 205-630-1
• MDL Number: MFCD00008028
• Beilstein Number: 1739080
• PubChem SID: 24890731; 24278486; 162077175; 24896083
• PubChem CID: 3727
• CHEMBL: 276727
• Chemspider ID: 3596
• Unique Ingredient Identifier: ZRH8M27S79
• Wikipedia Title: Iodoacetamide

CALCULATED PROPERTIES

• Acid pKa: 13.59649
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.08472746
• LogD (pH = 7.4): -0.08472721
• Log P: -0.08472746
• Molar Refractivity: 27.5497 cm^3
• Polarizability: 11.059936 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.5 M, clear, colorless
• Apperance: crystalline; Yellow-brown crystals
• Melting Point: > 91-93°C; 92-95 °C; 92-95 °C(lit.); 92-95°C(dried); 93 - 96°C; 94°C
• Hydrophobicity(logP): 0.029

Safety Information

• Storage Condition: 0°C; store at 2-8 °C
• Storage Warning: Light Sensitive; Toxic
• RTECS: AC4200000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 25-36/37/38-43; 25-42/43-53; R:25
• Safety Statements: 22-36/37-45; 24-26-36/37-45; S:28-36/37/39-45-53
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H317-H335; H301-H317-H334-H413
• GHS Precautionary statements: P261-P280-P301 + P310-P342 + P311; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (AT); ≥99% (HPLC); 95%; 95+%; 98%, stab. with ca 5-8% water
• Grade: purum
• Packaging: vial of 56 mg
• Ignition Residue: ≤0.1%
• Impurities: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter
• Cation Traces: Al: ≤0.0005%; Ca: ≤0.0005%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005%; Mg: ≤0.0005%; Na: ≤0.05%; NH4+: ≤0.05%; Pb: ≤0.001%; Zn: ≤0.0005%
• Antion Traces: chloride (Cl-): ≤0.05%; sulfate (SO42-): ≤0.05%
• Quality Level: PREMIUM
• Linear Formula: ICH2CONH2

DETAILS

MP Biomedicals - 02100351

Crystalline
Thiol reagent.

Sigma Aldrich - I6125

Application
Alkylating reagent for cysteine residues in peptide sequencing. By virtue of reaction with cysteine, it is an irreversible inhibitor of enzymes with cysteine at the active site.1 It reacts much more slowly with histidine residues, but that activity is responsible for inhibition of ribonuclease.2
包装
1 kg in glass bottle
5, 10, 25, 100 g in glass bottle

Sigma Aldrich - I1149

Application
Alkylating reagent for cysteine residues in peptide sequencing. By virtue of reaction with cysteine, it is an irreversible inhibitor of enzymes with cysteine at the active site.1 It reacts much more slowly with histidine residues, but that activity is responsible for inhibition of ribonuclease.2

Sigma Aldrich - A3221

Application
Alkylating reagent for cysteine residues in peptide sequencing. By virtue of reaction with cysteine, it is an irreversible inhibitor of enzymes with cysteine at the active site.1 It reacts much more slowly with histidine residues, but that activity is responsible for inhibition of ribonuclease.2
For use in 2-D protein electrophoresis. Eliminates artifacts of disulfide formation during electrophoresis for less streaking and better resolution.
Packaging
Packaged in sealed ampules
Legal Information
Technology developed in partnership with Proteome Systems™
Proteome Systems is a trademark of Proteome Systems Ltd

Sigma Aldrich - 57670

Application
Alkylating reagent for cysteine residues in peptide sequencing. By virtue of reaction with cysteine, it is an irreversible inhibitor of enzymes with cysteine at the active site.1 It reacts much more slowly with histidine residues, but that activity is responsible for inhibition of ribonuclease.2
Caution
May discolor to yellowish on storage.
General description
May contain some chloracetamide.
Other Notes
Thiol reagent. Carboxymethylation3