4-Pyridinecarboximidamide Hydrochloride - ≥97% , CAS No.42518-06-9

CAS: 42518-06-9 Cat. No.: A184477 Molecular Weight: 157.6 EC Number: 692-231-4

GRADE & PURITY ≥97%

Synonyms

EN300-42664 | pyridine-4-carboxamidine hydrochloride | FT-0617419 | Isonicotinimidamide hydrochloride(1:x) | 4-Pyridinecarboximidamide,hydrochloride (1:?) | Isonicotinamidine, Hydrochloride | SCHEMBL1436116 | 4-Amidinopyridine hydrochloride | 4-amidino-py

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EN300-42664 | pyridine-4-carboxamidine hydrochloride | FT-0617419 | Isonicotinimidamide hydrochloride(1:x) | 4-Pyridinecarboximidamide, hydrochloride (1:?) | Isonicotinamidine, Hydrochloride | SCHEMBL1436116 | 4-Amidinopyridine hydrochloride | 4-amidino-py

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761951
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761951
• Canonical Smiles: C1=CN=CC=C1C(=N)N.Cl
• IUPAC Name: pyridine-4-carboximidamide;hydrochloride
• InChIKey: IONKMFGAXKCLMI-UHFFFAOYSA-N
• INCHI: 1S/C6H7N3.ClH/c7-6(8)5-1-3-9-4-2-5;/h1-4H,(H3,7,8);1H
• Isomeric SMILES: C1=CN=CC=C1C(=N)N.Cl
• Molecular Weight: 157.6
• Reaxy-Rn: 3562678
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3562678&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Carboximidamide - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

• Molecular Weight: 157.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.041 Da
• Monoisotopic Mass: 157.041 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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

XLogP3

References

1. Hongliang Dai, Shihai You, Huang Ye, Tingting Zhu, Junhua Luo.  (2023)  Dion–Jacobson to Alternating-Cations-Interaction Reconstruction toward Narrow Bandgap 2D Aromatic Hybrid Perovskite.  Small,  19  (46): (2304332).  [PMID:37464560] [10.1002/smll.202304332]