3-Amino-4-pyridazinecarboxylic acid - ≥95% , CAS No.21141-03-7

CAS: 21141-03-7 Cat. No.: A182743 Molecular Weight: 139.1

GRADE & PURITY ≥95%

Synonyms

DTXSID00423331 | 4-Pyridazinecarboxylic acid, 3-amino- | MFCD01318258 | SY005535 | AKOS006342814 | KCOOFYQDXAMIBZ-UHFFFAOYSA-N | Ethyl2-chloro-6-fluorophenylacetate | 3-Amino-4-pyridazinecarboxylic acid | 3-Amino-4-pyridazinecarboxylic acid, AldrichCPR |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID00423331 | 4-Pyridazinecarboxylic acid, 3-amino- | MFCD01318258 | SY005535 | AKOS006342814 | KCOOFYQDXAMIBZ-UHFFFAOYSA-N | Ethyl2-chloro-6-fluorophenylacetate | 3-Amino-4-pyridazinecarboxylic acid | 3-Amino-4-pyridazinecarboxylic acid, AldrichCPR |

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504764109
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764109
• Canonical Smiles: C1=CN=NC(=C1C(=O)O)N
• IUPAC Name: 3-aminopyridazine-4-carboxylic acid
• InChIKey: KCOOFYQDXAMIBZ-UHFFFAOYSA-N
• INCHI: 1S/C5H5N3O2/c6-4-3(5(9)10)1-2-7-8-4/h1-2H,(H2,6,8)(H,9,10)
• Isomeric SMILES: C1=CN=NC(=C1C(=O)O)N
• Molecular Weight: 139.1
• Reaxy-Rn: 1565035
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1565035&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridazines
• Alternative Parents: Primary aromatic amines Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridazine - Primary aromatic amine - Imidolactam - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyridazines. These are organic compounds containing an amino group attached to a pyridazine ring.
• 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

• Sensitivity: light sensitive
• Molecular Weight: 139.110 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 139.038 Da
• Monoisotopic Mass: 139.038 Da
• Topological Polar Surface Area: 89.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 139.000
• 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: 1