L-p-Boronophenylalanine

HCID 150315CAS 76410-58-7

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Grundinformationen

Standard-SMILES: N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O
InChIKey: NFIVJOSXJDORSP-QMMMGPOBSA-N
Summenformel: C9H12BNO4
Durchschnittliche Molmasse: 209,01 g/mol
Monoisotopische Masse: 209,08593826

Überblick

P-Borono-L-phenylalanine is an organic molecular entity.

Namen und Bezeichner

Bevorzugter Name: L-p-Boronophenylalanine
IUPAC: (2S)-2-amino-3-(4-boronophenyl)propanoic acid

Namen und Synonyme

76410-58-74-BoronophenylalanineL-p-boronophenylalanineboronophenylalaninepara-BoronophenylalanineL-BPAJSM63LV5MDpara-Borono-L-phenylalanineL-Phenylalanine, 4-borono-DTXSID70227242p-BPA compoundp-BPA cpd

Weitere Namen anzeigen

RefChem:570138L-(10)BPADTXCID701497334-Borono-L-phenylalanine(s)-2-amino-3-(4-boronophenyl)propanoic acid(2S)-2-amino-3-(4-boronophenyl)propanoic acidMFCD01075172Borofalan

Datenbank-Bezeichner

CAS: 76410-58-7
PubChem CID: 150315
DTXSID: DTXSID70227242
ChEMBL: CHEMBL125582
ChEBI: CHEBI:232826
UNII: JSM63LV5MD
EC Number: 622-791-7
Nikkaji: J74.962A

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 104 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 15
Formalladung: 0
Komplexität: 216

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.