4-Iodophenylalanine
Basic information
- CAS
1991-81-7- Standard SMILES
N[C@@H](Cc1ccc(I)cc1)C(=O)O- InChIKey
PZNQZSRPDOEBMS-QMMMGPOBSA-N- Molecular formula
- C9H10INO2
- Average molar mass
- 291.09 g/mol
Overview
4-iodo-L-phenylalanine is the L-enantiomer of 4-iodophenylalanine. It is an enantiomer of a 4-iodo-D-phenylalanine.
Names & identifiers
- Preferred name
- 4-Iodophenylalanine
- IUPAC
- (2S)-2-amino-3-(4-iodophenyl)propanoic acid
- English name
- L-4-Iodophenylalanine
- Molecular formula
- C9H10INO2
- Molecular weight
- 291.09
Names & synonyms
4-Iodo-L-phenylalanine24250-85-94-Iodophenylalaninep-Iodo-l-phenylalaninep-IODOPHENYLALANINEL-Phenylalanine, 4-iodo-para-IodophenylalanineAlanine, 3-(p-iodophenyl)-, L-J882Z73MPLCHEBI:44964DTXSID20931185CHEBI:145892
Show more names
4-Iodo-L-phenylalanine (H-Phe(4-I)-OH) ,99% (HPLC)L-4-IODOPHEH-PHE(P-I)-OH4-IODO-PHE-OHL-PHE(4-I)-OHL-4-Iodo-phe-OHH-L-PHE(4-I)-OH
RefChem:524260DTXCID90212953H-Phe(4-I)-OH(2S)-2-amino-3-(4-iodophenyl)propanoic acidIODO-PHENYLALANINE(S)-2-Amino-3-(4-iodophenyl)propanoic acidPhenylalanine, 4-iodo-L-4-Iodophenylalanine
Database identifiers
- CAS
1991-81-7、24250-85-9- PubChem CID
- 134497
- ChEMBL
CHEMBL1235284- ChEBI
CHEBI:44964- UNII
- J882Z73MPL
- EC Number
- 849-052-3
- Nikkaji
- J1.054.119K
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 255 · 255-256 °C
- Boiling point
- 366.8 · 366.8±32.0 °C(Predicted)
- Density
- 1.824 · 1.824±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 2.19 · 2.19±0.10(Predicted)
- color
- White to off-white
- Water Solubility
- Partly miscible with water.
- Sensitive
- Light Sensitive
- BRN
- 4411317 · 4411317
- InChI
- InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
- InChIKey
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Chemistry & industry
Applications
Uses4-Iodo-L-phenylalanine may be used in protein engineering as a model unnatural α amino acid to alter primary amino acid composition via the opal (UGA) codon.
Additional notes
DefinitionChEBI: 4-iodo-L-phenylalanine is the L-enantiomer of 4-iodophenylalanine. It is an enantiomer of a 4-iodo-D-phenylalanine.
Suppliers
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Related reactions
12 records
Compound notes
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