- 3-Methyl-N,N-diethylbenzamide
- 3-Methyl-N-methylbenzylamine
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Cas Database |
| Name |
3-Methyl-N,N-diethylbenzamide |
EINECS | N/A |
| CAS No. | 94271-03-1 | Density | N/A |
| PSA | 20.31000 | LogP | 2.47700 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H17NO3 | Boiling Point | 160oC at 19 mm Hg |
| Molecular Weight | 191.273 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Article Data | 51 |
3-Methyl-N,N-diethylbenzamide Chemical Properties
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
3-Methyl-N,N-diethylbenzamide 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. |
3-Methyl-N,N-diethylbenzamide 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- .
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