Grundinformationen
- Standard-SMILES
CCC(N)=O- InChIKey
QLNJFJADRCOGBJ-UHFFFAOYSA-N- Summenformel
- C3H7NO
- Durchschnittliche Molmasse
- 73,09 g/mol
- Monoisotopische Masse
- 73,05276385
Namen und Bezeichner
- Bevorzugter Name
- Propionamide
- IUPAC
- propanamide
- Lokaler Name
- Propionamid
- Englischer Name
- Propionamide
- Summenformel
- C3H7NO
- Molmasse
- 73.09
Namen und Synonyme
PROPIONAMIDEPropanamide79-05-0PropylamidePropionic amidePropionic acid amidePropanimidic acidPropionimidic acidAmid kyseliny propionoveDTXSID3058820QK07G0HP47NSC-38708
Weitere Namen anzeigen
PropionamidbdpgPropiomidePropinamidepropionicamiden-Propionamide
CHEBI:45422RefChem:6167DTXCID5048134201-172-1Propionimidic acid (VAN)MFCD00008039NSC 38708BRN 0969258
Datenbank-Bezeichner
- CAS
79-05-0- PubChem CID
- 6578
- DTXSID
DTXSID3058820- ChEMBL
CHEMBL1235716- ChEBI
CHEBI:45422- UNII
- QK07G0HP47
- EC Number
- 201-172-1
- Nikkaji
- J22.070A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,7
- Polarare Oberfläche (TPSA)
- 43,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 42
Experimentelle und physikochemische Eigenschaften
Vapor Pressure0.03 [mmHg]
Physical DescriptionSolid; [Merck Index] Off-white crystalline flakes; [Alfa Aesar MSDS]
Kovats Retention Index
984
1822；1792；1801；1821；1807
Physikochemische Eigenschaften
- Schmelzpunkt
- 76 · 76-79 °C (lit.)
- Siedepunkt
- 213 °C · 213 °C (lit.)
- Dichte
- 1.042 g/mL · 1.042 g/mL at 25 °C (lit.)
- Dampfdruck
- 1.06 Pa · 1.06Pa at 25℃
- Brechungsindex
- 110 · nD110 1.4160
- Flammpunkt
- 213 °C · 213°C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- SOLUBLE
- Aggregatzustand
- Crystalline Powder
- pka
- 16.6 · 16.60±0.40(Predicted)
- Wichte
- 1.042 · 1.042
- Farbe
- White to slightly yellow
- Wasserlöslichkeit
- SOLUBLE
- Merck
- 14 · 14,7824
- Henry's Law Constant
- 3.3 · 3.3×103 mol/(m3Pa) at 25℃, Plyasunov et al. (2001)
- InChI
- 1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
- InChIKey
- QLNJFJADRCOGBJ-UHFFFAOYSA-N
- SMILES
- CCC(N)=O
- LogP
- -0.7 at · -0.7 at 23℃
- CAS Datenbank
- 79 · 79-05-0(CAS DataBase Reference)
- NIST chemische Informationen
- Propanamide(79-05-0)
- EPA chemische Informationen
- Propanamide (79-05-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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: Propanamide
Status: Active Update: 09-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30038
Propanamide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Dimethyl acetamide.
Hazard Classes and CategoriesAcute Tox. 4 (83.3%)；Eye Irrit. 2 (16.7%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLCLo (rat) = 8,000 ppm
Regulatorische Informationen
Regulatory Information
Chemical: Propanamide
Status: Active Update: 09-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30038
Propanamide: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29241900
- RTECS-Nr.
- UE2975000
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 24/25-36/37/39-26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPropanamide: ACTIVE
Anwendungen
VerwendenPropionamide was used as adsorbent in the determination of adsorption isotherms of acetamide and propionamide on multi-wall carbon nanotube. It was used in a robust screening method to study biotransformations using (+)-γ-lactamase enzyme.
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Ergänzende Hinweise
DefinitionChEBI: A monocarboxylic acid amide obtained by the formal condensation of propionic acid with ammonia.
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