1-Methyl-1H-pyrazol-4-amine - ≥97% , CAS No.69843-13-6

CAS: 69843-13-6 Cat. No.: M589928 Formule: C₄H₇N₃ Poids moléculaire: 97.12 Numéro CE: 674-953-1

GRADE & PURITY ≥97%

Synonyms

EN300-36073 | 1-methyl-1H-pyrazol-4-amine | Not available;4-Amino-1-methylpyrazole Hydrochloride | GS-4471 | 4-Amino-1-methylpyrazole, 95% | 1-Methyl-1H-pyrazole-4-ylamine | AM20100657 | STK347825 | 1-Methyl-1H-pyrazol-4-ylamine HCl | AKOS000205098 | 1-me

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

EN300-36073 | 1-methyl-1H-pyrazol-4-amine | Not available;4-Amino-1-methylpyrazole Hydrochloride | GS-4471 | 4-Amino-1-methylpyrazole, 95% | 1-Methyl-1H-pyrazole-4-ylamine | AM20100657 | STK347825 | 1-Methyl-1H-pyrazol-4-ylamine HCl | AKOS000205098 | 1-me

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Protected from light,Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 528754592
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528754592
• Sourires canoniques: CN1C=C(C=N1)N
• IUPAC Name: 1-methylpyrazol-4-amine
• InChIKey: LBGSWBJURUFGLR-UHFFFAOYSA-N
• INCHI: 1S/C4H7N3/c1-7-3-4(5)2-6-7/h2-3H,5H2,1H3
• Isomères SMILES: CN1C=C(C=N1)N
• WGK Allemagne: 3
• CAS alternatif: 69843-13-6
• Poids moléculaire: 97.12
• Reaxy-Rn: 4368862
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4368862&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic 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

Propriétés chimiques et physiques

• Indice de réfraction: n20/D 1.556
• Point d'éclair (°F): >230 °F
• Point d'éclair (°C): >110 °C
• Point d'ébullition (°C): 45-80 °C/760 mmHg
• Point de fusion (°C): 47-50°C
• Poids moléculaire: 97.120 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 97.064 Da
• Monoisotopic Mass: 97.064 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 64.000
• 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