(1-Methyl-1H-pyrazol-4-yl)methanamine - ≥97% , CAS No.400877-05-6

CAS: 400877-05-6 Cat. No.: M589007 Peso molecular: 111.15 Número EC: 692-524-7

GRADE & PURITY ≥97%

Synonyms

(1-methylpyrazol-4-yl)methanamine | PB29175 | 1H-PYRAZOLE-4-METHANAMINE, 1-METHYL- | AM20100063 | KFTRXTSNTQSGNE-UHFFFAOYSA-N | STK312971 | (1n-methylpyrazol-4-yl)methanamine | 4-aminomethyl-1-methyl-1H-pyrazole | 4-(Aminomethyl)-1-methylpyrazole | Z31704

Storage

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

Shipped In

Wet ice

Specifications

Sinónimos

(1-methylpyrazol-4-yl)methanamine | PB29175 | 1H-PYRAZOLE-4-METHANAMINE, 1-METHYL- | AM20100063 | KFTRXTSNTQSGNE-UHFFFAOYSA-N | STK312971 | (1n-methylpyrazol-4-yl)methanamine | 4-aminomethyl-1-methyl-1H-pyrazole | 4-(Aminomethyl)-1-methylpyrazole | Z31704

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

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

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759820
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759820
• Sonrisas canónicas: CN1C=C(C=N1)CN
• IUPAC Name: (1-methylpyrazol-4-yl)methanamine
• InChIKey: KFTRXTSNTQSGNE-UHFFFAOYSA-N
• INCHI: 1S/C5H9N3/c1-8-4-5(2-6)3-7-8/h3-4H,2,6H2,1H3
• Isómeros SMILES: CN1C=C(C=N1)CN
• Peso molecular: 111.15
• Reaxy-Rn: 10151707
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10151707&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

Propiedades químicas y físicas

• Punto de inflamación (°C): 87°C
• Punto de ebullición (°C): 220°C
• Peso molecular: 111.150 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.08 Da
• Monoisotopic Mass: 111.08 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.100
• 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: 1