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Diethylaminoacetonitrile

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Name

Diethylaminoacetonitrile

EINECS 221-130-6
CAS No. 3010-02-4 Density 0.875 g/cm3
PSA 27.03000 LogP 0.85178
Solubility N/A Melting Point N/A
Formula C6H12N2 Boiling Point 169.999 °C at 760 mmHg
Molecular Weight 112.175 Flash Point 53.889 °C
Transport Information N/A Appearance clear orange-brown liquid
Safety 16-26-36/37/39-45-38-28 Risk Codes 10-23/24/25-41-36
Molecular Structure Molecular Structure of 3010-02-4 (N,N-Diethylcyanoacetamide) Hazard Symbols ToxicT
Synonyms

2-(N,N-diethyl)aminoacetonitrile;

Article Data 24

Diethylaminoacetonitrile Specification

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.

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