Chloroformamidine Hydrochloride - ≥98%(T) , CAS No.29671-92-9

CAS: 29671-92-9 Cat. No.: C153626 Molecular Weight: 114.96 EC Number: 249-765-4 PubChem CID: 3084509

GRADE & PURITY ≥98%(T)

Synonyms

carbamimidic chloride-HCl | A819999 | carbamimidic chloride HCl | Chloroformamidine hydrochloride | chloro-formamidine hydrochloride | chloroform-amidine hydrochloride | EN300-177142 | SY009310 | carbamimidoyl chloride hydrochloric acid salt | carbamimido

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

carbamimidic chloride-HCl | A819999 | carbamimidic chloride HCl | Chloroformamidine hydrochloride | chloro-formamidine hydrochloride | chloroform-amidine hydrochloride | EN300-177142 | SY009310 | carbamimidoyl chloride hydrochloric acid salt | carbamimido

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504762436
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762436
• Canonical Smiles: C(=N)(N)Cl.Cl
• IUPAC Name: carbamimidoyl chloride;hydrochloride
• InChIKey: FUQFHOLPJJETAP-UHFFFAOYSA-N
• INCHI: 1S/CH3ClN2.ClH/c2-1(3)4;/h(H3,3,4);1H
• Isomeric SMILES: C(=N)(N)Cl.Cl
• PubChem CID: 3084509
• Molecular Weight: 114.96
• Reaxy-Rn: 3551122

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Carboximidamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Carboximidamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboximidamides
• Alternative Parents: Organochlorides Imines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboximidamide - Hydrocarbon derivative - Hydrochloride - Organochloride - Organohalogen compound - Imine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboximidamides. These are organonitrogen compounds with the general formula RN=CN(R')(R''), (R,R',R'' = H or organyl group).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 180°C(lit.)
• Molecular Weight: 114.960 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.975 Da
• Monoisotopic Mass: 113.975 Da
• Topological Polar Surface Area: 49.900 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 33.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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