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

HCID 5152312CAS 14173-41-2

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Grundinformationen

Standard-SMILES: NC(Cc1ccc(I)cc1)C(=O)O
InChIKey: PZNQZSRPDOEBMS-UHFFFAOYSA-N
Summenformel: C9H10INO2
Durchschnittliche Molmasse: 291,09 g/mol
Monoisotopische Masse: 290,97562656

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: 2-Amino-3-(4-iodophenyl)propionic acid
IUPAC: 2-amino-3-(4-iodophenyl)propanoic acid
Englischer Name: 4-Iodo-DL-phenylalanine
Summenformel: C9H10INO2
Molmasse: 291.09

Namen und Synonyme

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

Weitere Namen anzeigen

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, (+/-)-

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,9
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 178

Physikochemische Eigenschaften

Schmelzpunkt: 276 °C · 276°C
Siedepunkt: 366.8 · 366.8±32.0 °C(Predicted)
Dichte: 1.824 · 1.824±0.06 g/cm3(Predicted)
storage temp.: Store at RT.
pka: 2.19 · 2.19±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White to yellow
CAS Datenbank: 14173 · 14173-41-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.