4-Nitro-3-phenyl-L-alanine

HCID 13706CAS 949-99-5

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Grundinformationen

Standard-SMILES: N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O
InChIKey: GTVVZTAFGPQSPC-QMMMGPOBSA-N
Summenformel: C9H10N2O4
Durchschnittliche Molmasse: 210,19 g/mol
Monoisotopische Masse: 210,0640568

Überblick

4-nitro-L-phenylalanine is a L-phenylalanine derivative that is L-phenylalanine substituted by a nitro group at position 4 of the phenyl ring. It is a C-nitro compound and a L-phenylalanine derivative.

Namen und Bezeichner

Bevorzugter Name: 4-Nitro-3-phenyl-L-alanine
IUPAC: (2S)-2-amino-3-(4-nitrophenyl)propanoic acid

Namen und Synonyme

p-Nitrophenylalanine4-Nitro-3-phenyl-L-alanineRefChem:5258684-Nitro-L-phenylalanine949-99-5h-phe(4-no2)-oh(s)-2-amino-3-(4-nitrophenyl)propanoic acid(2S)-2-amino-3-(4-nitrophenyl)propanoic acidp-nitro-l-phenylalanineL-p-NitrophenylalanineL-4-NitrophenylalaninePhenylalanine, 4-nitro-

Weitere Namen anzeigen

L-Phenylalanine, 4-nitro-4-Nitro-L-Phenylalanine HydrateMFCD00051221(s)-4-nitrophenylalaninePhenylalanine, 4-nitro-, L-para-nitrophenylalanineALANINE, 3-(p-NITROPHENYL)-, L-45BD1566VA

Datenbank-Bezeichner

CAS: 949-99-5
PubChem CID: 13706
DTXSID: DTXSID401020875
ChEBI: CHEBI:45229
UNII: 45BD1566VA
EC Number: 213-446-8
Nikkaji: J55.192I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,2
Polarare Oberfläche (TPSA): 109 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 243

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (84.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.