N,N-Diethylbenzamid

r2 · SAR2 · rebemide · R 2 · REP · 4F9 · RR2 · rrm2

Identifikatoren & physikalische Daten

CAS No.	1696-17-9
Summenformel	C11H15NO
Durchschnittliche Molmasse	177,24 g/mol
Monoisotopische Masse	177,1153641 g/mol
SMILES	CCN(CC)C(=O)c1ccccc1
InChIKey	JLNGEXDJAQASHD-UHFFFAOYSA-N
PubChem CID	15542
ChEBI	CHEBI:180965
EC No.	216-912-9
DTXSID	DTXSID0051784
Lokaler Name	N,N-Diethylbenzamid

XLogP	1,2
Polarare Oberfläche (TPSA)	20,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	3
Schwere Atome	13
Formalladung	0
Komplexität	157
SpringerMaterials Properties	Boiling point
LogP (Verteilungskoeffizient)	1.8
Schmelzpunkt	38-40°C
Siedepunkt	146-150°C 15mm
Dichte	1.0290 (rough estimate)
Brechungsindex	1.5240 to 1.5280
Flammpunkt	>100°C
Lagerbedingungen	-20°C
Löslichkeit	Chloroform (Slightly), Ethyl Acetate (Slightly)
pKa (Säurekonstante)	-1.14±0.70(Predicted)
Aggregatzustand	clear liquid
Farbe	White to Yellow to Green
BRN	1909505
InChI	InChI=1S/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey	JLNGEXDJAQASHD-UHFFFAOYSA-N
SMILES	C(N(CC)CC)(=O)C1=CC=CC=C1
CAS Datenbank	1696-17-9(CAS DataBase Reference)
EPA chemische Informationen	Benzamide, N,N-diethyl- (1696-17-9)

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
TSCA-Inventar-Status	TSCA listed
Zollcode	2924297099
RTECS-Nr.	CV4202000
R-Sätze (R)	36/37/38
Toxizität	LD50 oral in rat: 2gm/kg
Sicherheitshinweise (S)	26-36

N,N-Diethylbenzamide is used as an insect repellent.