N-HYDROXYPROPIONAMIDINE
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N-HYDROXYPROPIONAMIDINE
structure -
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CAS No:
29335-36-2
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Formula:
C3H8N2O
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Chemical Name:
N-HYDROXYPROPIONAMIDINE
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Synonyms:
AKOS B030359;N-HYDROXYPROPIONAMIDINE;Propionamidoxime;(1Z)-N'-hydroxypropanimidamide hydrochloride;propanimidamide, N'-hydroxy-, (1Z)-;(1Z)-N'-hydroxypropanimidamide(SALTDATA: HCl);(1Z)-N'-hydroxypropanimidamide 1HCl;N'-hydroxypropaniMidaMide
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CAS No:
Characteristics
58.6
-0.1
1.1±0.1 g/cm3
205.1±23.0°C at 760 mmHg
77.8±22.6 °C
1.475
Slightly soluble in water.
N-HYDROXYPROPIONAMIDINE Use and Manufacturing
Hydroxylamine hydrochloride (18.9 g, 272.7 mmol) and anhydrous potassium carbonate (37.6 g, 272.7 mmol) were suspended in EtOH /H2O (200 mL / 50 mL) and the mixture was stirred at room temperature for 1 hour before the addition of propionitrile (10.0 g, 181.8 mmol). The resulting mixture was heated to reflux and stirred for 20 hours and the reaction was monitored by thin-layer chromatography (DCM / MeOH, v / v, 50/1). anti-At the end of this time, the inorganic salt was removed by filtration and the filtrate was concentrated under reduced pressure to give the title compound as a pale yellow solid (13.5 g, 81percent).
Computed Properties
Molecular Weight:88.11
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:88.063662883
Monoisotopic Mass:88.063662883
Topological Polar Surface Area:58.6
Heavy Atom Count:6
Complexity:59.8
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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