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2728-04-3

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Basic Information
CAS No.: 2728-04-3
Name: Benzamide, N,N-diethyl-2-methyl-
Article Data: 26
Molecular Structure:
Molecular Structure of 2728-04-3 (Benzamide, N,N-diethyl-2-methyl-)
Formula: C12H17 N O
Molecular Weight: 191.273
Synonyms: o-Toluamide,N,N-diethyl- (6CI,7CI,8CI); N,N-Diethyl-2-methylbenzamide;N,N-Diethyl-o-toluamide; NSC 405380; o-DEET; o-DETA
Density: 0.985g/cm3
Melting Point: 49-50 °C
Boiling Point: 316.7°Cat760mmHg
Flash Point: 139.8°C
Safety: Moderately toxic by ingestion. A human skin irritant. When heated to decomposition it emits toxic fumes of NOx.
PSA: 20.31000
LogP: 2.47700
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    Benzamide,N,N-diethyl-2-methyl-

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Chemistry

IUPAC Name: N,N-Diethyl-2-methylbenzamide
Synonyms of N,N-Diethyl-o-toluamide (CAS NO.2728-04-3): 2-Methyl-N,N-diethylbenzamide ; Benzamide, N,N-diethyl-2-methyl- ; N,N-Diethyl-2-methylbenzamide ; o-Toluamide, N,N-diethyl-
InChI: InChI=1/C17H28N2O2.2C4H4O4/c1-4-17(11-12-18-13-14-19(5-2)6-3)20-15-9-7-8-10-16(15)21-17;2*5-3(6)1-2-4(7)8/h7-10,18H,4-6,11-14H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChI: InChI=1/C12H17NO/c1-4-13(5-2)12(14)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
InChIKey: KUYQDJOFVBGZID-UHFFFAOYAO
Std. InChI: InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
Std. InChIKey: KUYQDJOFVBGZID-UHFFFAOYSA-N
CAS NO: 2728-04-3
Molecular Formula: C12H17NO
Molecular Weight: 191.2695
Molecular Structure :
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 20.31 Å2
Index of Refraction: 1.517
Molar Refractivity: 58.72 cm3
Molar Volume: 194 cm3
Surface Tension: 35.9 dyne/cm
Density: 0.985 g/cm3
Flash Point: 139.8 °C
Enthalpy of Vaporization: 55.81 kJ/mol
Boiling Point: 316.7 °C at 760 mmHg
Vapour Pressure: 0.000403 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1210mg/kg (1210mg/kg)   Toxicology and Applied Pharmacology. Vol. 7, Pg. 772, 1965.

Safety Profile

Moderately toxic by ingestion. A human skin irritant. When N,N-Diethyl-o-toluamide (CAS NO.2728-04-3) is heated to decomposition, it emits toxic fumes of NOx.