2,5-dihydro-1H-pyrazol-3-amine hydrochloride - ≥95% , CAS No.4189-86-0

CAS: 4189-86-0 Cat. No.: D973168 Molecular Weight: 121.570 EC Number: EINECS224-067-2

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1C=C(NN1)N.Cl
• IUPAC Name: 2,3-dihydro-1H-pyrazol-5-amine;hydrochloride
• InChIKey: IIXOFOTWSMLQDY-UHFFFAOYSA-N
• INCHI: 1S/C3H7N3.ClH/c4-3-1-2-5-6-3;/h1,5-6H,2,4H2;1H
• Molecular Weight: 121.570

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolines
      • Subclass Pyrazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolines
• Subclass: Pyrazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolines
• Alternative Parents: Ketene acetals Azacyclic compounds Alkylhydrazines Hydrochlorides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrazoline - Ketene acetal or derivatives - Alkylhydrazine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Hydrazine derivative - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolines. These are compounds containing a pyrazoline ring, which is a five-member saturated aliphatic ring with two nitrogen atoms (at positions 1 and 2) and three 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: 121.570 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 121.041 Da
• Monoisotopic Mass: 121.041 Da
• Topological Polar Surface Area: 50.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 76.100
• 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