Cyclopropanecarboximidamide, hydrochloride (1:1)
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Cyclopropanecarboximidamide, hydrochloride (1:1)
structure -
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CAS No:
57297-29-7
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Formula:
C4H8N2.ClH
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Chemical Name:
Cyclopropanecarboximidamide, hydrochloride (1:1)
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Synonyms:
Cyclopropanecarboximidamide,hydrochloride (1:1);Cyclopropanecarboximidamide,monohydrochloride;Cyclopropanecarboxamidine hydrochloride;Cyclopropylcarbamidine hydrochloride;Cyclopropylformamidine hydrochloride;Cyclopropanecarboxamidine hydrochloride salt
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CAS No:
Cyclopropanecarboximidamide, hydrochloride (1:1) Basic Attributes
120.58
120.045425
4507255
-0
297166
2925290090
Characteristics
49.9
1.93440
white to light yellow crystal powder
1.37g/cm3
55-58 °C
133.6°C at 760 mmHg
34.6ºC
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36/37/39-37/39
Xi
Irritant/Hygroscopic
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Cyclopropanecarboximidamide, hydrochloride (1:1) Use and Manufacturing
A l-L reactor equipped with a thermocouple, subsurface gas feed line, hydrogen chloride cylinder, cylinder balance and nitrogen bubbler was flushed with nitrogen and charged with cyclopropanecarbonitrile (100 g, 1.5 mol), methanol (48 g, 1.5 mol) and toluene (400 mL). The reaction mixture was maintained at 15 °C under slight nitrogen positive pressure while feeding anhydrous hydrogen chloride (57 g, 1.55 mol) below the reaction mixture surface over 2 h. Then the reaction mixture was stirred for 16 h at 23 Cyclopropylcarboxamidine hydrochloride (1) A solution of cyclopropanecarbonitrile (70 g, 1 .04 mol) in ethanol (50 mL) was added to a saturated solution of dry HCI gas in dry ethanol (93 g) along with slight cooling. The resulting mixture was then stirred at RT for 24 h. The thick suspension formed was diluted with ethanol (25 mL) and cooled with an ice-water bath. An ethanolic ammonia solution (103.2 g) was added slowly to the ethanol mixture over ~ 30 min. The cooling bath was then removed, and the mixture was stirred at 23 °C for another 24 h. The precipitated ammonium chloride by-product was filtered off, and washed with ethanol (25 mL). The filtrates were concentrated and diluted with methanol (25 mL). The product was precipitated from the methanol mixture by the addition of diethyl ether (100 mL). The suspension was stirred for 4 h, the precipitate was filtered off, washed with diethyl ether (50 mL), and dried under vacuum to afford 100 g (79.5percent) of the amidine (1 ). LCMS m/z 85 (M+1 ). H NMR (400 MHz, DMSO-dHydrogen chloride gas was bubbled through a stirred solution of cyclopropylcarbonitrile (10.0 g, 0.15 mol) and methanol (6 ml, 0.15 mol) in dry ether (60 ml) at 0°C for 2 hours. The reaction mixture was evaporated under reduced pressure and the residue dissolved in methanol (125 ml). The solution was added to an ice-cold mixture of methanol (125 ml) and liquid ammonia (15 ml) and the mixture stirred for 1 hour. The resulting clear solution was evaporated to leave cyclopropylcarboxamidine hydrochloride salt as a white solid (12.0 g, 67percent). Characterising data for the compound are as follows: Hydrogen chloride gas was bubbled through a stirred solution of cyclopropylcarbonitrile (10.0 g, 0.15 mol) and methanol (6 ml, 0.15 mol) in dry ether (60 ml) at 0To a solution of 2-(2-chlorophenyl)-3-(dimethylamino)-1-(4-methyloxazol-5-yl)prop-2-en-1-one (5.94 g) and To a solution 2-(2-chlorophenyl)-3-(dimethylamino)-1-(3, 4-dimethylisoxazol-5-yl)prop-2-en-1- one (1.25 g) and
Computed Properties
Molecular Weight:120.58
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:120.0454260
Monoisotopic Mass:120.0454260
Topological Polar Surface Area:49.9
Heavy Atom Count:7
Complexity:73.6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Cyclopropanecarboximidamide, hydrochloride (1:1)
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