N,N-Diethyl-p-toluamide

BenzaMide, N,N-diethyl-4-Methyl- · p-DETA · NSC5686 · NSC-5686 · NSC 5686 · N-Diethyl-p-toluamide · N,N-Diethyl-p-toluamide · N,N-Diethyl-p-methylbenzamide

https://huagongshe.com/de/chemical/75946

Molekülstruktur von N,N-Diethyl-p-toluamide

Identifikatoren & physikalische Daten

CAS No.	2728-05-4
Summenformel	C12H17NO
Durchschnittliche Molmasse	191,27 g/mol
Monoisotopische Masse	191,13101417 g/mol
SMILES	CCN(CC)C(=O)c1ccc(C)cc1
InChIKey	PUZORFQMRDHKBT-UHFFFAOYSA-N
PubChem CID	75946
EC No.	111-010-0
DTXSID	DTXSID40876903

Chemische & physikalische Eigenschaften

XLogP	1,6
Polarare Oberfläche (TPSA)	20,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	3
Schwere Atome	14
Formalladung	0
Komplexität	179
LogP (Verteilungskoeffizient)	2.38
Schmelzpunkt	53-54 °C
Siedepunkt	163 °C(Press: 17 Torr)
Dichte	0.985±0.06 g/cm3(Predicted)
Lagerbedingungen	-20°C Freezer, Under inert atmosphere
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	-0.93±0.70(Predicted)
Farbe	White to Off-White
Hauptanwendungen	pharmaceutical (small molecule)
InChI	1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKey	PUZORFQMRDHKBT-UHFFFAOYSA-N
SMILES	N(CC)(CC)C(=O)c1ccc(cc1)C

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, 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.
Regulatorische Informationen	Chemical: Benzamide, N,N-diethyl-4-methyl-
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	2924296000
RTECS-Nr.	XS4025000
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral

Anwendungen & Verwendung

Verwenden

N,N-Diethyl-p-toluamide, is a buildig block used in the synthesis of phthalocyanines. It can also be used in preparation of new insect repellents.