D,L-4-Amino-3-hydroxybuttersure

4-Amino-3-hydroxybutanoic acid

HCID 2149

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Grundinformationen

CAS: 352-21-6
Standard-SMILES: NCC(O)CC(=O)O
InChIKey: YQGDEPYYFWUPGO-UHFFFAOYSA-N
Summenformel: C4H9NO3
Durchschnittliche Molmasse: 119,12 g/mol
Monoisotopische Masse: 119,05824315

Überblick

Gamma-amino-beta-hydroxybutyric acid is a gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent. It is a gamma-amino acid and a 3-hydroxy monocarboxylic acid. It is functionally related to a butyric acid. It is a conjugate acid of a 4-amino-3-hydroxybutanoate. It is a tautomer of a gamma-amino-beta-hydroxybutyric acid zwitterion.

Namen und Bezeichner

Bevorzugter Name: 4-Amino-3-hydroxybutanoic acid
IUPAC: 4-amino-3-hydroxybutanoic acid
Lokaler Name: D,L-4-Amino-3-hydroxybuttersure
Englischer Name: DL-4-Amino-3-hydroxybutyric acid
Summenformel: C4H9NO3
Molmasse: 119.11916

Namen und Synonyme

924-49-24-Amino-3-hydroxybutanoic acid4-Amino-3-hydroxybutyric acidGamibetalGabomadeBuksaminGamma-amino-beta-hydroxybutyric acid3-Hydroxy-GABABuxamineDTXSID10458771ZHM019FLDNSC-40244

Weitere Namen anzeigen

AHBA4-amino-3-hydroxy-butyricaci3-Hydroxy-4-amino-butyric acidC03678beta-oxy-gabaAminohydroxybutyricacid4-Amino-3-hydroxybutanoate

DTXCID9025877CHEBI:16080RefChem:912319206-518-5213-106-9GabobDL-4-Amino-3-hydroxybutyric acid352-21-6

Datenbank-Bezeichner

CAS: 352-21-6、924-49-2
PubChem CID: 2149
DTXSID: DTXSID1045877
ChEMBL: CHEMBL93515
ChEBI: CHEBI:16080
UNII: 1ZHM019FLD
EC Number: 206-518-5、213-106-9
Nikkaji: J5.691J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -4,1
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: 157 · 157-161°C
Siedepunkt: 220.63 °C · 220.63°C (rough estimate)
Dichte: 1.3492 · 1.3492 (rough estimate)
Brechungsindex: 1.454 · 1.4540 (estimate)
CAS Datenbank: 352 · 352-21-6(CAS DataBase Reference)
EPA chemische Informationen: 4 · Butanoic acid, 4-amino-3-hydroxy-(352-21-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]