4-Iodo-dl-phenylalanine

C₉H₁₀INO₂CAS 14173-41-2291.09 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₀INO₂
Molar mass: 291.09 g/mol
Exact mass: 290.9756 Da
logP: 1.25Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

14173-41-2

SMILES

C1=CC(=CC=C1CC(C(=O)O)N)I

InChIKey

PZNQZSRPDOEBMS-UHFFFAOYSA-N

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)

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Names and synonyms

1 names

2-Amino-3-(4-iodophenyl)propionic acid

Work with 4-Iodo-dl-phenylalanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Iodophenylalanine24250-85-9Defined stereoisomer 4-Iodo-D-phenylalanine62561-75-5Defined stereoisomer

Similar compounds

D-Tyrosine556-02-571 % similar DL-Tyrosine556-03-671 % similar Tyrosine60-18-471 % similar p-Amino-DL-phenylalanine hydrate2922-41-069 % similar 4-Amino-L-phenylalanine943-80-669 % similar DL-Phenylalanine150-30-168 % similar Phenylalanine63-91-268 % similar D-Phenylalanine673-06-368 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-amino-5-iodobenzoate268568-11-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook