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Home > Encyclopedia > 4-AMIDINOPYRIDINEHYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDEHYDROCHLORIDE

4-AMIDINOPYRIDINEHYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDEHYDROCHLORIDE

4-AMIDINOPYRIDINEHYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDEHYDROCHLORIDE structure

4-AMIDINOPYRIDINEHYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDEHYDROCHLORIDE 

structure
  • CAS No:

    6345-27-3

  • Formula:

    C12H16Cl2N6

  • Chemical Name:

    4-AMIDINOPYRIDINEHYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDEHYDROCHLORIDE

  • 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

  • Categories:

    Pharmaceutical Intermediates  >  Antibacterials

Description

White powder

4-AMIDINOPYRIDINEHYDROCHLORIDEPYRIDINE-4-CARBOXIMIDAMIDEHYDROCHLORIDE Basic Attributes

315.20164

314.081360

3562678

18379

29333990

Characteristics

62.8

240-242°C

240.7°C at 760 mmHg

99.4ºC

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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