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

HCID 5152312CAS 14173-41-2
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(Cc1ccc(I)cc1)C(=O)O
InChIKey
PZNQZSRPDOEBMS-UHFFFAOYSA-N
Molecular formula
C9H10INO2
Average molar mass
291.09 g/mol
Monoisotopic mass
290.97562656

Overview

4-iodophenylalanine is a phenylalanine derivative that is phenylalanine carrying an iodo group at position 4 on the benzene ring. It is a phenylalanine derivative, an organoiodine compound and a non-proteinogenic alpha-amino acid.

Names & identifiers

Preferred name
2-Amino-3-(4-iodophenyl)propionic acid
IUPAC
2-amino-3-(4-iodophenyl)propanoic acid
English name
4-Iodo-DL-phenylalanine
Molecular formula
C9H10INO2
Molecular weight
291.09

Names & synonyms

2-Amino-3-(4-iodophenyl)propionic acidRefChem:463753881-434-514173-41-22-amino-3-(4-iodophenyl)propanoic acid4-IODO-DL-PHENYLALANINEDL-4-iodophenylalanineH-DL-Phe(4-I)-OHMFCD00063066p-IODO-DL-PHENYLALANINEL-4-IodophenylalanineDL-P-IODOPHENYLALANINE
Show more names
DL-Phe(4-I)-OHH-DL-PHE(P-I)-OHH-P-IODO-DL-PHE-OH4-Iodo-DL-phenylalanPhenylalanine, 4-iodo-
D-4-Iodophenylalanine;H-D-Phe(4-I)-OH(L)-4-iodophenylalanine4-iodo-D,L-phenylalanine4-Iodophenylalanine, DL-DL-Phenylalanine, 4-iodo-SCHEMBL446182G5DBU78P94-Iodophenylalanine, (+/-)-

Database identifiers

CAS
14173-41-2
PubChem CID
5152312
DTXSID
DTXSID20931185
ChEMBL
CHEMBL5308481
ChEBI
CHEBI:145892
UNII
2G5DBU78P9
EC Number
881-434-5
Nikkaji
J3.054.467F

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

Physicochemical properties

Melting point
276 °C · 276°C
Boiling point
366.8 · 366.8±32.0 °C(Predicted)
Density
1.824 · 1.824±0.06 g/cm3(Predicted)
storage temp.
Store at RT.
pka
2.19 · 2.19±0.10(Predicted)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code
2922498590
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
Xi
Hazard statements
H314
Precautionary statements
P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405

Chemistry & industry

Applications

UsesH-DL-Phe(4-I)-OH is a phenylalanine derivative[1].

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

Additional notes

DefinitionChEBI: 4-iodophenylalanine is a phenylalanine derivative that is phenylalanine carrying an iodo group at position 4 on the benzene ring. It is a non-proteinogenic alpha-amino acid, a phenylalanine derivative and an organoiodine compound.

Related reactions

4 records
New reaction record

Linked notes

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