N,N-Diethylcyanoacetamide

The Diethylaminoacetonitrile, with the CAS registry number 3010-02-4, is also known as 2-(N,N-diethyl)aminoacetonitrile. It belongs to the product category of Entacapone. Its EINECS registry number is 221-130-6. This chemical's molecular formula is C₆H₁₂N₂ and molecular weight is 112.17288. Its IUPAC name is called 2-(diethylamino)acetonitrile. This chemical's classification code is Skin / Eye Irritant. It can be used for the preparation of aldehydes and ketones.

Physical properties of Diethylaminoacetonitrile: (1)ACD/LogP: 0.60; (2)ACD/LogD (pH 7.4): 0.54; (3)#H bond acceptors: 2; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.435; (6)Molar Refractivity: 33.48 cm³; (7)Molar Volume: 128.2 cm³; (8)Surface Tension: 31.9 dyne/cm; (9)Density: 0.874 g/cm³; (10)Flash Point: 53.9 °C; (11)Enthalpy of Vaporization: 40.64 kJ/mol; (12)Boiling Point: 170 °C at 760 mmHg; (13)Vapour Pressure: 1.5 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetonitrile and diethylamine. This reaction will need reagent diethyl ether.

Uses of Diethylaminoacetonitrile: it can be used to produce diethyl-pyridin-2-ylmethyl-amine at temperature of 150 °C. This reaction will need reagent cobaltocene and solvent tetrahydrofuran with reaction time of 3 hours. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is flammable and is toxic by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes. Keep away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)CC#N
(2)InChI: InChI=1S/C6H12N2/c1-3-8(4-2)6-5-7/h3-4,6H2,1-2H3
(3)InChIKey: LVPZSMIBSMMLPI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	360uL/kg (0.36mL/kg)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat	LCLo	inhalation	125ppm/4H (125ppm)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat	LD50	oral	160mg/kg (160mg/kg)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.