4-((2-Methyl-1H-imidazol-1-yl)methyl)aniline - ≥95% , CAS No.772311-98-5

CAS: 772311-98-5 Cat. No.: M195003 Peso molecular: 187.24 Número EC: 984-977-7

GRADE & PURITY ≥95%

Synonyms

STK520641 | 4-[(2-methylimidazol-1-yl)methyl]aniline | J-513329 | MFCD06797794 | 4-(2-methyl-imidazol-1-ylmethyl)phenylamine | 4-(2-Methyl-imidazol-1-ylmethyl)-phenylamine | 4-(2-METHYLIMIDAZOL-1-YLMETHYL)PHENYLAMINE | 4-((2-Methyl-1H-imidazol-1-yl)methyl

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

STK520641 | 4-[(2-methylimidazol-1-yl)methyl]aniline | J-513329 | MFCD06797794 | 4-(2-methyl-imidazol-1-ylmethyl)phenylamine | 4-(2-Methyl-imidazol-1-ylmethyl)-phenylamine | 4-(2-METHYLIMIDAZOL-1-YLMETHYL)PHENYLAMINE | 4-((2-Methyl-1H-imidazol-1-yl)methyl

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1=NC=CN1CC2=CC=C(C=C2)N
• IUPAC Name: 4-[(2-methylimidazol-1-yl)methyl]aniline
• InChIKey: KWSBIEFIWQOXTF-UHFFFAOYSA-N
• INCHI: 1S/C11H13N3/c1-9-13-6-7-14(9)8-10-2-4-11(12)5-3-10/h2-7H,8,12H2,1H3
• Isómeros SMILES: CC1=NC=CN1CC2=CC=C(C=C2)N
• Peso molecular: 187.24
• Reaxy-Rn: 3607251
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3607251&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

• Sensibilidad: light sensitive
• Peso molecular: 187.240 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.111 Da
• Monoisotopic Mass: 187.111 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 175.000
• 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