CAS 40371-51-5 4-Amino-2-hydroxybutyric acid, (S)-(-)- (HCID 2733929)

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Grundinformationen

CAS: 40371-51-5
Standard-SMILES: NCC[C@H](O)C(=O)O
InChIKey: IVUOMFWNDGNLBJ-VKHMYHEASA-N
Summenformel: C4H9NO3
Durchschnittliche Molmasse: 119,12 g/mol

Namen und Bezeichner

Bevorzugter Name: 4-Amino-2-hydroxybutyric acid, (S)-(-)-
IUPAC: (2S)-4-amino-2-hydroxybutanoic acid
Englischer Name: (S)-(-)-4-Amino-2-hydroxybutyric acid
Summenformel: C4H9NO3
Molmasse: 119.12

Namen und Synonyme

2Z3NQ8MG2T4-Amino-2-hydroxybutyric acid, (S)-(-)-RefChem:107023440371-51-5(S)-4-amino-2-hydroxybutanoic acid(S)-(-)-4-AMINO-2-HYDROXYBUTYRIC ACID(S)-4-Amino-2-hydroxybutyric acid(2S)-4-amino-2-hydroxybutanoic acidAmikacin impurity IMFCD00674110Amikacin EP Impurity IButanoic acid, 4-amino-2-hydroxy-, (2S)-

Weitere Namen anzeigen

Amikacin Impurity 9Amikacin impurity I CRSAmikacin Sulfate Impurity IAmikacin Sulfate EP Impurity IL--a-Hydroxy-amino butyric acidL-(-)-α-Hydroxy-γ-AminoButyricAcidL-(-)-α-Hydroxy-γ-AminoButyricAcid

4-amino-(2s)-hydroxybutyric acidL-(-)-4-Amino-2-hydroxybutyric acidButanoic acid, 4-amino-2-hydroxy-, (S)-L-4-amino-2-hydroxybutyric acid(2S)-4-amino-2-hydroxybutyric acidCS-W002667AC-1318L-gamma-Amino-alpha-hydroxybutyric acid

Datenbank-Bezeichner

CAS: 40371-51-5
PubChem CID: 2733929
UNII: 2Z3NQ8MG2T
EC Number: 670-305-7
Nikkaji: J21.882K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -3,7
Polarare Oberfläche (TPSA): 83,6 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 83,4

Physikochemische Eigenschaften

Schmelzpunkt: 200 · 200-203 °C (lit.)
Siedepunkt: 222.38 °C · 222.38°C (rough estimate)
Dichte: 1.3126 · 1.3126 (rough estimate)
Brechungsindex: -30 ° · -30 ° (C=1, H2O)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: Methanol (Very Slightly, Heated), Water
Aggregatzustand: Crystalline Powder, Crystals and/or Chunks
pka: 3.47 · 3.47±0.10(Predicted)
Farbe: White to beige
Wasserlöslichkeit: almost transparency
Stabilität: Hygroscopic
InChI: 1S/C4H9NO3/c5-2-1-3(6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
InChIKey: IVUOMFWNDGNLBJ-VKHMYHEASA-N
SMILES: NCC[C@H](O)C(O)=O
CAS Datenbank: 40371 · 40371-51-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 12.5% (1 of 8) of reports.

Warning

H315 (87.5%): 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 27-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30437

Hazard Classes and CategoriesSkin Irrit. 2 (87.5%)

Sicherheitsdaten

wgk: 3
hs_code: 29225090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(S)-(-)-4-Amino-2-hydroxybutyric Acid is an analogue of γ-aminobutyric acid (GABA) with potential inhibitory activity on GABA binding and uptake by brain. Injection of (S)-(-)-4-Amino-2-hydroxybutyric Acid showed no significant changes in plasma growth hormone (GH) in healthy patients but increased plasma GH, prolactin, and cortisol levels in cerebrovascular patients.