2-iodo-N-(prop-2-yn-1-yl)acetamide
Basic information
- CAS
1010386-64-7- Standard SMILES
C#CCNC(=O)CI- InChIKey
CSMMHDBFJDWUDO-UHFFFAOYSA-N- Molecular formula
- C5H6INO
- Average molar mass
- 223.01 g/mol
Names & identifiers
- Preferred name
- 2-iodo-N-(prop-2-yn-1-yl)acetamide
- IUPAC
- 2-iodo-N-prop-2-ynylacetamide
- English name
- 2-iodo-N-(prop-2-yn-1-yl)acetamide
- Molecular formula
- C5H6INO
- Molecular weight
- 223.01
Names & synonyms
2-iodo-N-(prop-2-yn-1-yl)acetamide1010386-64-7MFCD204147522-Iodo-N-prop-2-ynyl-acetamide2-iodo-N-prop-2-ynylacetamideIA-alkyne(Pr)orb2815390SCHEMBL2026442GLXC-26734KQB386642-Iodo-N-(2-propyn-1-yl)acetamideAKOS014117575
Show more names
Acetamide, 2-iodo-N-2-propyn-1-yl-2-iodo-N-(propan-2-ene-1-yl)acetamideBP-41672SY530937CS-0235968G74149EN300-1659582F653713
Database identifiers
- CAS
1010386-64-7- Nikkaji
- J3.389.493G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 330.7 · 330.7±27.0 °C(Predicted)
- Density
- 1.864 · 1.864±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- solubility
- 2 mg/mL, · DMSO: 2 mg/mL, clear
- form
- powder
- pka
- 12.58 · 12.58±0.46(Predicted)
- color
- white to beige
- Appearance
- White to light yellow Solid
- SMILES
- O=C(CI)NCC#C
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesIodoacetamide Alkyne-C3 is suitable for use in isotopic tagging strategies for quantitative cysteine-reactivity profiling in various biological samples.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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