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144-48-9 molecular structure
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2-iodoacetamide

ChemBase ID: 90360
Molecular Formular: C2H4INO
Molecular Mass: 184.96373
Monoisotopic Mass: 184.93376175
SMILES and InChIs

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

Cite this record

CBID:90360 http://www.chembase.cn/molecule-90360.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.59649  H Acceptors
H Donor LogD (pH = 5.5) -0.08472746 
LogD (pH = 7.4) -0.08472721  Log P -0.08472746 
Molar Refractivity 27.5497 cm3 Polarizability 11.059936 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble0.5 M, clear, colorless expand Show data source
Apperance
crystalline expand Show data source
Yellow-brown crystals expand Show data source
Melting Point
> 91-93°C expand Show data source
92-95 °C expand Show data source
92-95 °C(lit.) expand Show data source
92-95°C(dried) expand Show data source
93 - 96°C expand Show data source
94°C expand Show data source
Hydrophobicity(logP)
0.029 expand Show data source
Storage Condition
0°C expand Show data source
store at 2-8 °C expand Show data source
Storage Warning
Light Sensitive expand Show data source
Toxic expand Show data source
RTECS
AC4200000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
UN2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
25-36/37/38-43 expand Show data source
25-42/43-53 expand Show data source
R:25 expand Show data source
Safety Statements
22-36/37-45 expand Show data source
24-26-36/37-45 expand Show data source
S:28-36/37/39-45-53 expand Show data source
EU Classification
T2 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H317-H335 expand Show data source
H301-H317-H334-H413 expand Show data source
GHS Precautionary statements
P261-P280-P301 + P310-P342 + P311 expand Show data source
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (AT) expand Show data source
≥99% (HPLC) expand Show data source
95% expand Show data source
95+% expand Show data source
98%, stab. with ca 5-8% water expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
vial of 56 mg expand Show data source
Ignition Residue
≤0.1% expand Show data source
Impurities
≤0.0005% Phosphorus (P) expand Show data source
≤0.1% Insoluble matter expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Ca: ≤0.0005% expand Show data source
Cu: ≤0.0005% expand Show data source
Fe: ≤0.0005% expand Show data source
K: ≤0.005% expand Show data source
Mg: ≤0.0005% expand Show data source
Na: ≤0.05% expand Show data source
NH4+: ≤0.05% expand Show data source
Pb: ≤0.001% expand Show data source
Zn: ≤0.0005% expand Show data source
Antion Traces
chloride (Cl-): ≤0.05% expand Show data source
sulfate (SO42-): ≤0.05% expand Show data source
Quality Level
PREMIUM expand Show data source
Linear Formula
ICH2CONH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02100351 external link
Crystalline
Thiol reagent.
Sigma Aldrich - I6125 external link
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 external link
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 external link
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 external link
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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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