2-Amino-3-hydroxybutanoic acid

HCID 205CAS 144-98-9

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Grundinformationen

Standard-SMILES: CC(O)C(N)C(=O)O
InChIKey: AYFVYJQAPQTCCC-UHFFFAOYSA-N
Summenformel: C4H9NO3
Durchschnittliche Molmasse: 119,12 g/mol
Monoisotopische Masse: 119,05824315

Überblick

2-amino-3-hydroxybutanoic acid is an alpha-amino acid that is butanoic acid substituted by an amino group at position 2 and a hydroxy group at position 3. It has a role as a plant metabolite.

Namen und Bezeichner

Bevorzugter Name: 2-Amino-3-hydroxybutanoic acid
IUPAC: 2-amino-3-hydroxybutanoic acid
Englischer Name: 2-Amino-3-hydroxybutanoic acid
Summenformel: C4H9NO3
Molmasse: 119.12

Namen und Synonyme

2-amino-3-hydroxybutanoic acidCHEBI:38263DTXSID301015364RefChem:463904DTXCID40210085DL-Threonine80-68-27004-04-8Allo-DL-threonineDL-allo-Threonine144-98-9DL-2-Amino-3-hydroxybutanoic acid

Weitere Namen anzeigen

R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid

2-amino-3-hydroxy-butanoic acidButanoic acid, 2-amino-3-hydroxy-MFCD00066665DL-Threonine (contains DL-Allothreonine)760PJT2SS0DL-allothreonineH-DL-allo-Thr-OHWLN: QY1&YZVQ -L

Datenbank-Bezeichner

CAS: 144-98-9、24830-94-2、28954-12-3、632-20-2、7004-04-8、72-19-5、80-68-2
PubChem CID: 205
DTXSID: DTXSID301015364
ChEMBL: CHEMBL30037
ChEBI: CHEBI:38263
UNII: 760PJT2SS0
EC Number: 201-300-6、205-645-3
Nikkaji: J1.252A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -2,9
Polarare Oberfläche (TPSA): 83,6 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 93,3

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

DrugsPharmaceuticals

Solubility · 2 Einträge

Sparingly soluble in water; Soluble in buffer systems pH 5.5

Practically insoluble (in ethanol)

Physical Description · 2 Einträge

Hemihydrate: Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]

White crystalline powder; slight savoury aroma

Physikochemische Eigenschaften

Siedepunkt: 345.803 · 345.803±32.00 °C(Press: 760.00 Torr)(predicted)
Dichte: 1.307 · 1.307±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 2.186 · 2.186±0.10(predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 92.2% (214 of 232) of all reports.

Not Classified

Aggregated GHS information provided per 232 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationChemical: DL-Threonine

Other Safety InformationIMAP assessments - DL-Threonine: Environment tier I assessment

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesNot Classified

Toxikologische Informationen

Toxicity Summary · 1 Eintrag

L-Threonine is a precursor to the amino acids glycine and serine. It acts as a lipotropic in controlling fat build-up in the liver. May help combat mental illness and may be very useful in indigestion and intestinal malfunctions. Also, threonine prevents excessive liver fat. Nutrients are more readily absorbed when threonine is present.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesHepatic

Verwendung und Herstellung

Uses · 2 Einträge

An essential amino acid; [Merck Index]

L-Threonine makes up collagen, elastin, and enamel protein. It aids proper fat metabolism in the liver, helps the digestive and intestinal tracts function more smoothly, and assists in metabolism and assimilation.

Use ClassificationFlavoring Agents -> JECFA Flavorings Index