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Basic Information
CAS No.: 94271-03-1
Name: 3-Methyl-N,N-diethylbenzamide
Molecular Structure:
Molecular Structure of 94271-03-1 (3-Methyl-N,N-diethylbenzamide)
Formula: C12H17NO3
Molecular Weight: 191.273
Boiling Point: 160oC at 19 mm Hg
PSA: 20.31000
LogP: 2.47700
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Chemistry

Molecular Structure of 3-Methyl-N,N-diethylbenzamide (CAS No.94271-03-1):
 
Molecular Formula: C12H17NO
Molecular Weight: 191.27
IUPAC Name: N,N-Diethyl-3-methylbenzamide
CAS No: 94271-03-1
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: 141.7 °C
Enthalpy of Vaporization: 53.73 kJ/mol
Boiling Point: 297.5 °C at 760 mmHg
Vapour Pressure: 0.00135 mmHg at 25°C
Heavy Atom Count: 14
Formal Charge: 0
Complexity: 187
Classification Code: Agricultural Chemical;Human Data;Insect attractant, repellent and chemosterilant;Insect repellents;Mutation data;Pesticides;Repellant, arthropod;Reproductive Effect;Skin / Eye Irritant
InChI: InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKey: MMOXZBCLCQITDF-UHFFFAOYSA-N
Std. InChI: InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
Std. InChIKey: MMOXZBCLCQITDF-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
child TDLo oral 4750mg/kg (4750mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: STIFFNESS

BEHAVIORAL: COMA		 JAMA, Journal of the American Medical Association. Vol. 258, Pg. 1509, 1987.
human TDLo skin 35mg/kg/5D (35mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Toxicology and Applied Pharmacology. Vol. 1, Pg. 97, 1959.
mammal (species unspecified) LD50 oral 1800mg/kg (1800mg/kg)   United States Patent Document. Vol. #3594481,
man LDLo oral 679mg/kg (679mg/kg)   JAMA, Journal of the American Medical Association. Vol. 258, Pg. 1509, 1987.
mouse LD50 oral 1170mg/kg (1170mg/kg)   Yakkyoku. Pharmacy. Vol. 36, Pg. 1671, 1985.
mouse LD50 skin 3170uL/kg (3.17mL/kg)   Yakkyoku. Pharmacy. Vol. 31, Pg. 309, 1980.
rabbit LD50 oral 1584mg/kg (1584mg/kg)   National Technical Information Service. Vol. AD-A082-131,
rabbit LD50 oral 1584mg/kg (1584mg/kg)   National Technical Information Service. Vol. AD-A082-131,
rabbit LD50 skin 3180uL/kg (3.18mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rabbit LDLo intravenous 75mg/kg (75mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: TREMOR		 Toxicology and Applied Pharmacology. Vol. 1, Pg. 97, 1959.
rat LC50 inhalation 5950mg/m3 (5950mg/m3)   National Technical Information Service. Vol. AD-079-960,
rat LD50 oral 1950mg/kg (1950mg/kg)   Special Publication of the Entomological Society of America. Vol. 78-1, Pg. 53, 1978.
rat LD50 skin 5gm/kg (5000mg/kg)   Meditsinskaya Parazitologiya i Parazitarnye Bolezni. Medical Parasitology and Parasitic Diseases. Vol. 45, Pg. 65, 1976.
women LDLo oral 950mg/kg (950mg/kg) BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

GASTROINTESTINAL: NAUSEA OR VOMITING		 JAMA, Journal of the American Medical Association. Vol. 258, Pg. 1509, 1987.
women TDLo oral 300ug/kg (0.3mg/kg) CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION		 Journal of Analytical Toxicology. Vol. 19, Pg. 197, 1995.
women TDLo oral 950mg/kg (950mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 JAMA, Journal of the American Medical Association. Vol. 258, Pg. 1509, 1987.

Specification

   3-Methyl-N,N-diethylbenzamide (CAS No.94271-03-1), it also can be called Benzamide, N,N-diethyl-3-methyl- ; Diethyl-m-toluamide ; N,N-Diethyl-3-methylbenzamide ; m-Toluamide, N,N-diethyl- .