n-Butyl-2-propenamide

HCID 642908CAS 2565-18-6

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Grundinformationen

Standard-SMILES: C=CC(=O)NCCCC
InChIKey: YRVUCYWJQFRCOB-UHFFFAOYSA-N
Summenformel: C7H13NO
Durchschnittliche Molmasse: 127,18 g/mol
Monoisotopische Masse: 127,09971404

Namen und Bezeichner

Bevorzugter Name: n-Butyl-2-propenamide
IUPAC: N-butylprop-2-enamide
Englischer Name: N-N-Butylacrylamide
Summenformel: C7H13NO
Molmasse: 127.18

Namen und Synonyme

N-butylacrylamideN-n-butylacrylamiden-Butyl-2-propenamide149B78H0RCUNII-149B78H0RCDTXSID50349092RefChem:202084DTXCID10300164696-280-2InChI=1/C7H13NO/c1-3-5-6-8-7(9)4-2/h4H,2-3,5-6H2,1H3,(H,8,92565-18-6N-butylprop-2-enamide

Weitere Namen anzeigen

2-propenamide, N-butyl-MFCD00080433N-n-butyl acrylamideSCHEMBL117684N-Butylacrylamide (stabilized with MEHQ)PD139252B6122CS-0152107

Datenbank-Bezeichner

CAS: 2565-18-6
PubChem CID: 642908
DTXSID: DTXSID50349092
ChEMBL: CHEMBL3334581
UNII: 149B78H0RC
EC Number: 696-280-2
Nikkaji: J107.684A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 99

Physikochemische Eigenschaften

Siedepunkt: 83 · 83-85 °C(Press: 1 Torr)
Dichte: 0.876 · 0.876±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
pka: 15.13 · 15.13±0.46(Predicted)
Farbe: Colorless to Light yellow to Light orange

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.