N,2,2-Trimethylpropanamide

HCID 138844

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Grundinformationen

CAS: 6830-83-7
Standard-SMILES: CNC(=O)C(C)(C)C
InChIKey: QMKKJBRRKIKWFK-UHFFFAOYSA-N
Summenformel: C6H13NO
Durchschnittliche Molmasse: 115,17 g/mol
Monoisotopische Masse: 115,09971404

Namen und Bezeichner

Bevorzugter Name: N,2,2-Trimethylpropanamide
IUPAC: N,2,2-trimethylpropanamide
Englischer Name: N-Methyltrimethylacetamide
Summenformel: C6H13NO
Molmasse: 115.17

Namen und Synonyme

6830-83-7N,2,2-Trimethylpropanamide2,2,N-TrimethylpropanamideDTXSID70218458RefChem:1090191DTXCID90140949N-MethyltrimethylacetamideN-MethylpivalamideMFCD000436432,2-dimethyl-N-methylpropanamideBAEN-methyl-pivalamide

Weitere Namen anzeigen

TIMTEC-BB SBB007942RARECHEM AQ A3 0035N,2,2-TRIMETHYLPROPIONAMIDEPropanamide, N,2,2-trimethyl-N-Methyltrimethylacetamide,96%N,2,2-Trimethylpropionamide, N-Methylpivalamide

NSC223053SCHEMBL114274SCHEMBL179521N,2,2-Trimethylpropanamide #SCHEMBL1513006SCHEMBL3271837CHEMBL4515313N-Methyltrimethylacetamide, 98%

Datenbank-Bezeichner

CAS: 6830-83-7
PubChem CID: 138844
DTXSID: DTXSID70218458
ChEMBL: CHEMBL4515313
EC Number: 806-283-4
Nikkaji: J567.244I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 91

Physikochemische Eigenschaften

Schmelzpunkt: 86 · 86-91 °C(lit.)
Siedepunkt: 105 · 105-110°C 15mm
Dichte: 0.9837 · 0.9837 (rough estimate)
Brechungsindex: 1.469 · 1.4690 (estimate)
Flammpunkt: 105 · 105-110°C/15mm
pka: 16.61 · 16.61±0.46(Predicted)
BRN: 1744142 · 1744142
CAS Datenbank: 6830 · 6830-83-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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+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 39 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.