4-AMIDINOPYRIDINEHYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDEHYDROCHLORIDE
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4-AMIDINOPYRIDINEHYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDEHYDROCHLORIDE
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CAS No:
6345-27-3
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Formula:
C12H16Cl2N6
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Chemical Name:
4-AMIDINOPYRIDINEHYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDEHYDROCHLORIDE
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Synonyms:
4-AmidinopyridiniumHCl;IsonicotiniMidaMide hydrochloride;4-Amidinopyridinium chloride, 98+%;4-pyridin-carbamidine hydrochloride;4-AMIDINOPYRIDINE HYDROCHLORIDE, 98+%;4-AMIDINOPYRIDINE HYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDE HYDROCHLORIDE;Pyridine-4-carboximidamide hydrochloride, 4-Carbamimidoylpyridine hydrochloride, Pyridine-4-carboxamidine hydrochloride
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CAS No:
4-AMIDINOPYRIDINEHYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDEHYDROCHLORIDE Basic Attributes
315.20164
314.081360
3562678
18379
29333990
Safety Information
36/37/38
26-36-37
Xi
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302+H312+H332
|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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-AMIDINOPYRIDINEHYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDEHYDROCHLORIDE Use and Manufacturing
4-Cyanopyridine (20.0 g, 0.2 mol) was dissolved in dry MeOH (200 mL) andpowdered sodium methoxide (1.1 g, 20 mmol) was added in one portion. Thesolution was stirred overnight at room temperature. After addition of NH4Cl (16.5 g, 0.31 mol), the reaction mixture was heated at reflux for 4 h and then cooled toambient temperature. The solvent was evaporated and absolute EtOH (300 mL) was added.Then the mixture was heated to reflux. After 15 min, the solids were filtered off and thefiltrate was allowed to cool to room temperature and stand overnight. Additional inorganicsalts were filtered off, and the reaction mixture was concentrated to approximately volumeand filtered to afford 24.0 g (76percent) of the title compoundNaOMe (5.4 g, 100 mmol) was added to a stirred solution of 4-pyridinecarbonitrile (10.0 g, 96.1 mmol) in dry MeOH (50 mL) and the mixture stirred at reflux temperature for 2 h. NH(d)
Computed Properties
Molecular Weight:157.60
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:157.0406750
Monoisotopic Mass:157.0406750
Topological Polar Surface Area:62.8
Heavy Atom Count:10
Complexity:105
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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4-AMIDINOPYRIDINEHYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDEHYDROCHLORIDE
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