8-Aminooctanoic acid

HCID 66085CAS 1002-57-9

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Grundinformationen

Standard-SMILES: NCCCCCCCC(=O)O
InChIKey: UQXNEWQGGVUVQA-UHFFFAOYSA-N
Summenformel: C8H17NO2
Durchschnittliche Molmasse: 159,23 g/mol
Monoisotopische Masse: 159,12592878

Überblick

8-aminooctanoic acid is an -amino fatty acid that is octanoic acid which carries an amino group at position 8. It has a role as a human metabolite. It is a medium-chain fatty acid and an omega-amino fatty acid.

Namen und Bezeichner

Bevorzugter Name: 8-Aminooctanoic acid
IUPAC: 8-aminooctanoic acid

Namen und Synonyme

8-Aminooctanoic acid1002-57-9Octanoic acid, 8-amino-omega-Aminocaprylic acidomega-ACX8H8HFT75VDTXSID00143007CHEBI:143265NSC-59019RefChem:106909DTXCID4065498213-687-9

Weitere Namen anzeigen

8-Aminocaprylic acid8-Amino caprylic acidMFCD000082458-amino capylic acid8-Amino-octanoic acid.omega.-Aminocaprylic acidH-AOC(8)-OH8-Aminooctanoic acid #

Datenbank-Bezeichner

CAS: 1002-57-9
PubChem CID: 66085
DTXSID: DTXSID00143007
ChEMBL: CHEMBL196105
ChEBI: CHEBI:143265
UNII: X8H8HFT75V
EC Number: 213-687-9
Nikkaji: J13.528C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -2,6
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 7
Schwere Atome: 11
Formalladung: 0
Komplexität: 104

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 42.9% (3 of 7) of reports.

Warning

H315 (57.1%): 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 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.