1-Amino-1-cyclopropanecarbonitrile hydrochloride Chemical Properties

Melting point:

223°C

Density 

1.244 at 20℃

vapor pressure 

1.475hPa at 20℃

storage temp. 

Inert atmosphere,2-8°C

Water Solubility 

Soluble in water

form 

Powder

color 

White to Almost white

InChI

InChI=1S/C4H6N2.ClH/c5-3-4(6)1-2-4;/h1-2,6H2;1H

InChIKey

PCEIEQLJYDMRFZ-UHFFFAOYSA-N

SMILES

C1(N)(CC1)C#N.Cl

LogP

2.72 at 25℃ and pH5.5

CAS DataBase Reference

127946-77-4(CAS DataBase Reference)

Safety Information

Hazard Codes 

T

Risk Statements 

25-36-43

Safety Statements 

26-36/37-45

RIDADR 

UN3439

WGK Germany 

3

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

Storage Class

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects

Hazard Classifications

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Sens. 1

1-Amino-1-cyclopropanecarbonitrile hydrochloride Usage And Synthesis

Chemical Properties

White solid

Synthesis

An aqueous solution of sodium hydroxide (91 g, 2.275 mol) was added to a 2L flask and cooled to zero degrees under nitrogen before benzyltriethylammonium chloride (2.0 g, 0.0088 mol), (phenylmethyleneammonium) acetonitrile (47.89 g), and toluene (100 mL) were added to the reaction system. Then 1,2-dibromoethane (23 ml, 122.4 mmol) was added dropwise to the reaction mixture over 25 minutes, mechanically stirred and cooled to maintain an internal temperature close to 10 degrees C. The reaction mixture was then vigorously stirred at room temperature for 24 hours before being poured into ice water and extracted with toluene, and the combined extract was washed with brine and then dried with anhydrous MgSO4, filtered, and the oil was extracted by rotary Toluene was removed by evaporation to give an oily compound (67 g), the residue was dissolved in boiling n-hexane (400 ml) and cooled by hot filtration, a dark-colored oily compound could be isolated, which was removed with a pipette (ca. 2 ml) and cooled for 2 hr at zero degrees Celsius before scraping-induced crystallization was carried out on the remaining solution, the light-yellow crystals were collected by filtration, and washed with zero degrees Celsius n-hexane to give the Intermediate 1-(phenylmethylene)cyclopropanecarbonitrile (30.56 g). 1-(Phenylmethylene)cyclopropanecarbonitrile (30.56 g, 0.124 mol) well concentrated hydrochloric acid (12 ml) was dissolved in a mixed solvent of water (100 ml) and ether (100 ml), and the resulting mixture was stirred and reacted for 15 hrs at room temperature, and the ether layer was separated, and then the aqueous layer was washed with ether. Then the aqueous layer was freeze-dried to obtain 1-aminocyclopropanecarbonitrile hydrochloride as a tan powder (13.51 g). [

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