2-Amino-3-(3-cyano-phenyl)-propionic acid

HCID 10559569

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Grundinformationen

CAS: 63999-80-4
Standard-SMILES: N#Cc1cccc(CC(N)C(=O)O)c1
InChIKey: ZHUOMTMPTNZOJE-UHFFFAOYSA-N
Summenformel: C10H10N2O2
Durchschnittliche Molmasse: 190,2 g/mol

Überblick

3-cyano-L-phenylalanine is a L-phenylalanine derivative that is L-phenylalanine substituted by a cyano group at position 3 of the phenyl ring. It is a nitrile and a L-phenylalanine derivative.

Namen und Bezeichner

Bevorzugter Name: 2-Amino-3-(3-cyano-phenyl)-propionic acid
IUPAC: 2-amino-3-(3-cyanophenyl)propanoic acid
Englischer Name: 3-Cyanophenylalanine
Summenformel: C10H10N2O2
Molmasse: 190.2

Namen und Synonyme

63999-80-42-amino-3-(3-cyano-phenyl)-propionic acidRefChem:463713676-170-02-amino-3-(3-cyanophenyl)propanoic Acid3-cyano-dl-phenylalanineDL-3-Cyanophenylalanineh-dl-phe(3-cn)-ohMFCD00190859D-3-Cyanophenylalanine2-Amino-3-(3-cyanophenyl)propanoicacidSCHEMBL43811

Weitere Namen anzeigen

DL-3-CN-Phe-OHDL-Phe(3-CN)-OHH-M-CYANO-DL-PHE-OH3-CyanophenylalaninePhenylalanine, 3-cyano-m-Cyano-DL-phenylalanine

CHEBI:233130AKOS006275482LS-13755SY317162CS-0156960A50208EN300-1168236F040428

Datenbank-Bezeichner

CAS: 63999-80-4
PubChem CID: 10559569
ChEBI: CHEBI:233130
EC Number: 676-170-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,8
Polarare Oberfläche (TPSA): 87,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 256

Physikochemische Eigenschaften

Siedepunkt: 382.5 · 382.5±32.0 °C(Predicted)
Dichte: 1.28 · 1.28±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 2.14 · 2.14±0.10(Predicted)
Aggregatzustand: solid
Farbe: White
CAS Datenbank: 63999 · 63999-80-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.