Grundinformationen
- CAS
57-08-9- Standard-SMILES
CC(=O)NCCCCCC(=O)O- InChIKey
WDSCBUNMANHPFH-UHFFFAOYSA-N- Summenformel
- C8H15NO3
- Durchschnittliche Molmasse
- 173,21 g/mol
- Monoisotopische Masse
- 173,10519334
Namen und Bezeichner
- Bevorzugter Name
- 6-Acetylaminocaproic acid
- IUPAC
- 6-acetamidohexanoic acid
- Lokaler Name
- Acexaminsure
- Englischer Name
- 6-Acetamidohexanoic acid
- Summenformel
- C8H15NO3
- Molmasse
- 173.21
Namen und Synonyme
6-(Acetylamino)hexanoic acid6-Acetylaminocaproic acidepsilon-acetylaminocaproic acidN-acetylamino-6-hexanoic acidRefChem:1092156-Acetamidohexanoic acidacexamic acid57-08-9Hexanoic acid, 6-(acetylamino)-Plastenan6-Acetamidocaproic acidAcide acexamique
Weitere Namen anzeigen
AACAe-Acetamidocaproic Acid6-acetylaminocaproicacid6-ACETAMINOHEXANOIC ACID
Acetaminocaproic acidCY 153AceminAEAH (base)Acido acexamicoN-Acetyl-6-aminohexanoic acidN-Acetyl-.epsilon.-aminocaproic acid.epsilon.-Acetamidocaproic acid
Datenbank-Bezeichner
- CAS
57-08-9- PubChem CID
- 2005
- DTXSID
DTXSID1045879- ChEMBL
CHEMBL2105922- ChEBI
CHEBI:134808- UNII
- 7IC4BO7D3R
- EC Number
- 200-310-8
- Nikkaji
- J4.575F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 66,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 156
Experimentelle und physikochemische Eigenschaften
Collision Cross Section141.4 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 102 · 102-104 °C(lit.)
- Siedepunkt
- 303.86 °C · 303.86°C (rough estimate)
- Dichte
- 1.1599 · 1.1599 (rough estimate)
- Brechungsindex
- 1.459 · 1.4590 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Sparingly), Methanol (Slightly)
- pka
- 4.75 · 4.75±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Merck
- 14 · 14,45
- Kosmetik-Inhaltsstoffe Funktionen
- ANTIOXIDANT
- InChI
- InChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
- InChIKey
- WDSCBUNMANHPFH-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCCCNC(C)=O
- LogP
- -0.5 · -0.500 (est)
- CAS Datenbank
- 57 · 57-08-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
Danger
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 4 reports by companies.；There are 2 notifications provided by 2 of 4 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: Hexanoic acid, 6-(acetylamino)-
Status: Active Update: 07-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30101
Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Dam. 1 (50%)；STOT SE 3 (50%)
Regulatorische Informationen
Regulatory Information
Chemical: Hexanoic acid, 6-(acetylamino)-
Status: Active Update: 07-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30101
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29241900
- safety_code
- 24/25
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Anwendungen
Verwenden6-Acetamidohexanoic acid is used after oral administration of an antiulcer agent, zinc acexamate (ZAC) for treatment of gastric ulcer or small bowel inflammation.
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