2-Naphthylalanine

HCID 185915CAS 58438-03-2

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Grundinformationen

Standard-SMILES: N[C@@H](Cc1ccc2ccccc2c1)C(=O)O
InChIKey: JPZXHKDZASGCLU-LBPRGKRZSA-N
Summenformel: C13H13NO2
Durchschnittliche Molmasse: 215,25 g/mol
Monoisotopische Masse: 215,09462866

Überblick

3-naphthalen-2-yl-L-alanine is a 3-naphthalen-2-ylalanine that has L-confliguration. It is an enantiomer of a 3-naphthalen-2-yl-D-alanine.

Namen und Bezeichner

Bevorzugter Name: 2-Naphthylalanine
IUPAC: (2S)-2-amino-3-naphthalen-2-ylpropanoic acid
Englischer Name: 3-(2-Naphthyl)-L-alanine
Summenformel: C13H13NO2
Molmasse: 215.25

Namen und Synonyme

58438-03-22-naphthylalaninebeta-2-naphthyl-l-alanineL-beta-(2-Naphthyl)alanine2-naphthalanineW425Q6KV9RJ353.121J2-Naphthalenepropanoic acid, alpha-amino-, (alphaS)-Nap amino acidRefChem:4771273-(2-Naphthyl)-L-alanineH-2-Nal-OH

Weitere Namen anzeigen

L-2-Nal-OH3-(2-NAPHTHYL)-L-ALANINE HCL(S)-2-AMINO-3-(NAPHTHALEN-2-YL)PROPANOIC ACID HYDROCHLORIDENaphthyl LH-2-Nal-OH·HClL-2-Napthyl alanine2-Naphthyl-L-AlanineL-Ala(2-naphthyl)-OH3-(2-phthyl)-L-alanine3-Naphth-2-yl-L-alanine

(S)-2-Amino-3-(naphthalen-2-yl)propanoic acidl-2-naphthylalanine(2S)-2-amino-3-naphthalen-2-ylpropanoic acidL-3-(2-Naphthyl)-alanine(2S)-2-amino-3-(2-naphthyl)propanoic acidBETA-(2-NAPHTHYL)-ALANINEMFCD00066087L-3-(2-NAPHTHYL)ALANINE

Datenbank-Bezeichner

CAS: 58438-03-2
PubChem CID: 185915
DTXSID: DTXSID20973984
ChEMBL: CHEMBL1234619
ChEBI: CHEBI:44170
UNII: W425Q6KV9R
EC Number: 611-652-6
Nikkaji: J353.121J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 254

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Schmelzpunkt: 240 °C · 240°C(dec.)(lit.)
Siedepunkt: 355.53 °C · 355.53°C (rough estimate)
Dichte: 1.1242 · 1.1242 (rough estimate)
Brechungsindex: 1.548 · 1.5480 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: 1 mol/L · Soluble in 1mol/L NaOH.
pka: 2.21 · 2.21±0.30(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Off-white
CAS Datenbank: 58438 · 58438-03-2(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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 29224999
hazard_code: Xi
safety_code: 24/25

Chemie und Industrie

Anwendungen

Verwenden3-(2-Naphthyl)-L-alanine, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.