Valeramid

Pentanamide

HCID 12298CAS 626-97-1

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Grundinformationen

Standard-SMILES: CCCCC(N)=O
InChIKey: IPWFJLQDVFKJDU-UHFFFAOYSA-N
Summenformel: C5H11NO
Durchschnittliche Molmasse: 101,15 g/mol
Monoisotopische Masse: 101,08406397

Überblick

Pentanamide is a monocarboxylic acid amide obtained by the formal condensation of valeric acid with ammonia. It is functionally related to a valeric acid.

Namen und Bezeichner

Bevorzugter Name: Pentanamide
IUPAC: pentanamide
Lokaler Name: Valeramid
Englischer Name: Pentanamide
Summenformel: C5H11NO
Molmasse: 101.15

Namen und Synonyme

PentanamideValeramide626-97-1N-VALERAMIDEPentanimidic acidTKL9TN43QKNSC-400223DTXSID3060827CHEBI:16459RefChem:901571DTXCID5043425210-974-0

Weitere Namen anzeigen

pentylamideZV4PentamideVALOYLAMINEn-PentanamideValeramide,97%

Valeric acid amideMFCD00041895Pentanamide (Valeramide)n-valeric amideUNII-TKL9TN43QKValproic Acid EP Impurity EN-PentanamidPentanamide; Valproic Acid Imp. E (EP); Valeramide; Valproic Acid Impurity E

Datenbank-Bezeichner

CAS: 626-97-1
PubChem CID: 12298
DTXSID: DTXSID3060827
ChEBI: CHEBI:16459
UNII: TKL9TN43QK
EC Number: 210-974-0
Nikkaji: J44.090F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 43,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 7
Formalladung: 0
Komplexität: 61,1

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> Primary amides [FA0801]

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: 101 · 101-106 °C
Siedepunkt: 189.55 °C · 189.55°C (rough estimate)
Dichte: 0.8735 · 0.8735
Brechungsindex: 1.4183 · 1.4183
storage temp.: Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Shiny Powder or Flakes
pka: 16.68 · 16.68±0.40(Predicted)
Farbe: White
Wasserlöslichkeit: Soluble in water (almost transparency).
BRN: 1740792 · 1740792
Stabilität: Stable under recommended storage conditions., Stable Under Recommended Storage C
Major Application: pharmaceutical
InChI: 1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)
InChIKey: IPWFJLQDVFKJDU-UHFFFAOYSA-N
SMILES: NC(CCCC)=O
CAS Datenbank: 626 · 626-97-1(CAS DataBase Reference)
NIST chemische Informationen: Pentanamide(626-97-1)
EPA chemische Informationen: Pentanamide (626-97-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

wgk: WGK 3
tsca: TSCA listed
hs_code: 29241900
safety_code: 24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPentanamide: INACTIVE

Anwendungen

VerwendenValeramide is an inhibitor of human microsomal epoxide hydrolase. Valeramide is also used in the EEG recordings of valerian-related drugs.