CAS 16338-48-0 s-Allylglycine (HCID 167529)

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Grundinformationen

CAS: 16338-48-0
Standard-SMILES: C=CC[C@H](N)C(=O)O
InChIKey: WNNNWFKQCKFSDK-BYPYZUCNSA-N
Summenformel: C5H9NO2
Durchschnittliche Molmasse: 115,13 g/mol
Monoisotopische Masse: 115,06332853

Überblick

L-allylglycine is the L-enantiomer of allylglycine. It is a GABA synthesis inhibitor. It has a role as an EC 4.1.1.15 (glutamate decarboxylase) inhibitor and a convulsant. It is an enantiomer of a D-allylglycine.

Namen und Bezeichner

Bevorzugter Name: s-Allylglycine
IUPAC: (2S)-2-aminopent-4-enoic acid
Englischer Name: L-Allylglycine
Summenformel: C5H9NO2
Molmasse: 115.13

Namen und Synonyme

s-allylglycineRefChem:1098248L-Allylglycine16338-48-0(2S)-2-aminopent-4-enoic acid(S)-2-aminopent-4-enoic acidH-Gly(Ally)-OH(S)-(-)-2-Amino-4-pentenoic acid(S)-2-Allylglycine(S)-2-Amino-4-pentenoic acid4-Pentenoic acid, 2-amino-, (2S)-(-)-Allylglycine

Weitere Namen anzeigen

H-GLY(ALLYL)-OHCL230H-S3-NML-AllyglycineH-(ALLYL)GLY-OH

(2S)-2-amino-4-pentenoic acidMFCD00002627L-2-Amino-4-pentenoic acidH-Algly-OH2-Allyl-L-glycine(S)-ALLYLGLYCINE(2S)-2-azaniumylpent-4-enoate4-Pentenoic acid, 2-amino-, (S)-

Datenbank-Bezeichner

CAS: 16338-48-0
PubChem CID: 167529
DTXSID: DTXSID10936821
ChEMBL: CHEMBL1229875
ChEBI: CHEBI:230523
EC Number: 118-690-8、625-432-2
Nikkaji

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -2,3
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 101

Physikochemische Eigenschaften

Schmelzpunkt: 283 °C · 283 °C (dec.)(lit.)
Siedepunkt: 215.41 °C · 215.41°C (rough estimate)
Dichte: 1.1808 · 1.1808 (rough estimate)
Brechungsindex: 1.4538 · 1.4538 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 2 O: · H2O: 100 mg/mL
pka: 2.22 · 2.22±0.10(Predicted)
Aggregatzustand: powder
Farbe: white
Wasserlöslichkeit: soluble
BRN: 1721512 · 1721512
InChIKey: WNNNWFKQCKFSDK-SCSAIBSYSA-N
CAS Datenbank: 16338 · 16338-48-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 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.

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]