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21539-47-9

Basic Information
CAS No.: 21539-47-9
Name: 3-(Ethylamino)propionitrile
Molecular Structure:
Molecular Structure of 21539-47-9 (3-(Ethylamino)propionitrile)
Formula: C5H10N2
Molecular Weight: 98.1478
Synonyms: Propionitrile,3-(ethylamino)- (6CI,7CI,8CI);3-(Ethylamino)propanenitrile;3-(Ethylamino)propionitrile;N-(2-Cyanoethyl)-N-ethylamine;N-Ethyl-2-cyanoethylamine;NSC 66681;
Density: 0.866 g/cm3
Boiling Point: 191.5 °C at 760 mmHg
Flash Point: 69.6 °C
Appearance: Colourless or little yellow liquid
Hazard Symbols: CorrosiveC,IrritantXi,HarmfulXn
Risk Codes: 20/21/22-34
Safety: 26-27-36/37/39-45-36/37
Transport Information: UN 3267 8/PG 3
PSA: 35.82000
LogP: 0.90048
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Specification

The CAS register number of 3-(Ethylamino)propionitrile is 21539-47-9. It also can be called as N-Ethyl-beta-alaninenitrile and the IUPAC name about this chemical is 3-(ethylamino)propanenitrile. The molecular formula about this chemical is C5H10N2 and the molecular weight is 98.15. It belongs to the following product categories, such as C1 to C5; Cyanides/Nitriles; Nitrogen Compounds and so on.

Physical properties about 3-(Ethylamino)propionitrile are: (1)ACD/LogP: -0.26; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 27.03Å2; (6)Index of Refraction: 1.42; (7)Molar Refractivity: 28.72 cm3; (8)Molar Volume: 113.2 cm3; (9)Polarizability: 11.38x10-24cm3; (10)Surface Tension: 31 dyne/cm; (11)Enthalpy of Vaporization: 42.77 kJ/mol; (12)Boiling Point: 191.5 °C at 760 mmHg; (13)Vapour Pressure: 0.513 mmHg at 25°C.

Uses of 3-(Ethylamino)propionitrile: it can be used to produce N'-Phenyl-N-aethyl-N-(2-cyanaethyl)thioharnstoff with isothiocyanatobenzene at ambient temperature. This reaction will need reagent benzene with reaction time of 2.5 hours. The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you need take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCNCC
(2)InChI: InChI=1/C5H10N2/c1-2-7-5-3-4-6/h7H,2-3,5H2,1H3
(3)InChIKey: RUVUQOOKKGVDNN-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H10N2/c1-2-7-5-3-4-6/h7H,2-3,5H2,1H3
(5)Std. InChIKey: RUVUQOOKKGVDNN-UHFFFAOYSA-N