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CAS No.: | 3007-53-2 |
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Name: | N,N-Dimethyldodecanamide |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C14H29NO |
Molecular Weight: | 227.39 |
Synonyms: | BRN 1769950;AI3-26661;Lauryl N,N-dimethylamide;N,N-Dimethyl laurylamide;N,N-Dimethyldodecamide;N,N-Dimethyllauramide;NSC76600;Hallcomid M12; |
EINECS: | 221-117-5 |
Density: | 0.861 g/cm3 |
Boiling Point: | 284.9 °C at 760 mmHg |
Flash Point: | 106 °C |
Solubility: | 28.02mg/L at 20℃ |
Appearance: | Colorless transparent liquid |
Hazard Symbols: | N |
Risk Codes: | 50/53 |
Safety: | 60-61 |
Transport Information: | UN 3082 9/PG 3 |
PSA: | 20.31000 |
LogP: | 3.99550 |
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Reported in EPA TSCA Inventory.
The N,N-Dimethyldodecanamide with CAS registry number of 3007-53-2 is also known as Dodecanamide,N,N-dimethyl-. The IUPAC name and product name are tha same. Its EINECS registry number is 221-117-5. In addition, the formula is C14H29NO and the molecular weight is 227.39. What's more, this chemical may present an immediate or delayed danger to one or more components of the environment.
Physical properties about N,N-Dimethyldodecanamide are: (1)ACD/LogP: 4.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.57; (4)ACD/LogD (pH 7.4): 4.57; (5)ACD/BCF (pH 5.5): 1741.95; (6)ACD/BCF (pH 7.4): 1741.95; (7)ACD/KOC (pH 5.5): 7269.93; (8)ACD/KOC (pH 7.4): 7269.94; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.447; (13)Molar Refractivity: 70.65 cm3; (14)Molar Volume: 264 cm3; (15)Surface Tension: 30.3 dyne/cm; (16)Density: 0.861 g/cm3; (17)Flash Point: 106 °C; (18)Enthalpy of Vaporization: 52.39 kJ/mol; (19)Boiling Point: 284.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00289 mmHg at 25 °C.
Preparation of N,N-Dimethyldodecanamide: it is prepared by reaction of dimethylamine with dodecanoyl chloride. The reaction needs solvent benzene at the temperature of 20 °C. The yield is about 92%.
Uses of N,N-Dimethyldodecanamide: it is used to produce 2-dodecanoyl-1-methylpyrrole by reaction with 1-methyl-pyrrole. The reaction occurs with reagent POCl3 and solvent benzene with other condition of heating for 2 hours. The yield is about 46%.
When you are using this chemical, please be cautious about it. As a chemical, it is very toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. During using it, avoid release to the environment referring to special instructions/safety data sheet. Besides, this material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCCCCCCCCC(=O)N(C)C
2. InChI: InChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)3/h4-13H2,1-3H3
3. InChIKey: BDYUSDIJIDGWCY-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1gm/kg (1000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | American Industrial Hygiene Association Journal. Vol. 32, Pg. 539, 1971. |
mouse | LD50 | intravenous | 75mg/kg (75mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BLOOD: HEMORRHAGE | American Industrial Hygiene Association Journal. Vol. 32, Pg. 539, 1971. |
rabbit | LD50 | intraperitoneal | 1gm/kg (1000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | American Industrial Hygiene Association Journal. Vol. 32, Pg. 539, 1971. |
rabbit | LD50 | intravenous | 50mg/kg (50mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BLOOD: HEMORRHAGE | American Industrial Hygiene Association Journal. Vol. 32, Pg. 539, 1971. |