2-[(2-Iodoacetyl)amino]-3-naphthalen-2-ylpropanoic acid
Basic information
- CAS
1219437-29-2- Standard SMILES
O=C(CI)NC(Cc1ccc2ccccc2c1)C(=O)O- InChIKey
CGTIVLUYQQMXDB-UHFFFAOYSA-N- Molecular formula
- C15H14INO3
- Average molar mass
- 383.18 g/mol
- Monoisotopic mass
- 383.00184131
Names & identifiers
- Preferred name
- 2-[(2-Iodoacetyl)amino]-3-naphthalen-2-ylpropanoic acid
- IUPAC
- 2-[(2-iodoacetyl)amino]-3-naphthalen-2-ylpropanoic acid
- English name
- N-Iodoacetyl-beta-(2-naphthyl)-alanine
- Molecular formula
- C15H14INO3
- Molecular weight
- 383.18
Names & synonyms
1219437-29-2N-Iodoacetyl-beta-(2-naphthyl)-alanine2-[(2-iodoacetyl)amino]-3-naphthalen-2-ylpropanoic acid2-Naphthalenepropanoic acid, alpha-[(2-iodoacetyl)amino]-N-Iodoacetyl-A-(2-naphthyl)-alanine(2S)-2-(2-iodoacetamido)-3-(naphthalen-2-yl)propanoic acidSCHEMBL29644337DTXSID40405010N-Iodoacetyl-?-(2-naphthyl)-alanineN-(Iodoacetyl)-3-(naphthalen-2-yl)alanineI-NAI
Show more names
N-Iodoacetyl--(2-naphthyl)-alanineN-Iodoacetyl-β-(2-naphthyl)-alanineα-[(2-Iodoacetyl)aMino]-2-naphthalenepropanoic Acid2-Naphthalenepropanoic acid, α-[(2-iodoacetyl)amino]-
Database identifiers
- CAS
1219437-29-2- PubChem CID
- 4624318
- DTXSID
DTXSID40405010
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 594.1 · 594.1±50.0 °C(Predicted)
- Density
- 1.698 · 1.698±0.06 g/cm3(Predicted)
- pka
- 3.23 · 3.23±0.30(Predicted)
- form
- Powder
- color
- Light Yellow
Chemistry & industry
Applications
UsesA water-soluble thio-reactive fluorescent probe.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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