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N,N-Dimethyldodecanamide

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Name

N,N-Dimethyldodecanamide

EINECS 221-117-5
CAS No. 3007-53-2 Density 0.861 g/cm3
PSA 20.31000 LogP 3.99550
Solubility 28.02mg/L at 20℃ Melting Point N/A
Formula C14H29NO Boiling Point 284.9 °C at 760 mmHg
Molecular Weight 227.39 Flash Point 106 °C
Transport Information UN 3082 9/PG 3 Appearance Colorless transparent liquid
Safety 60-61 Risk Codes 50/53
Molecular Structure Molecular Structure of 3007-53-2 (N,N-Dimethyldodecanamide) Hazard Symbols DangerousN
Synonyms

BRN 1769950;AI3-26661;Lauryl N,N-dimethylamide;N,N-Dimethyl laurylamide;N,N-Dimethyldodecamide;N,N-Dimethyllauramide;NSC76600;Hallcomid M12;

Article Data 22

N,N-Dimethyldodecanamide Consensus Reports

Reported in EPA TSCA Inventory.

N,N-Dimethyldodecanamide Specification

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%.

N,N-Dimethyldodecanamide is prepared by reaction of dimethylamine with dodecanoyl chloride.

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%.

N,N-Dimethyldodecanamide is used to produce 2-dodecanoyl-1-methylpyrrole by reaction with 1-methyl-pyrrole.

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.

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