2-Methyl-N-phenylaniline - ≥98% , CAS No.1205-39-6

CAS: 1205-39-6 Cat. No.: M190057 Fórmula: C₁₃H₁₃N Peso molecular: 183.25 Número CE: 690-529-9

GRAU & PUREZA ≥98%

Synonyms

DS-6953 | BENZENAMINE,2-METHYL-N-PHENYL- | DTXSID00450829 | JTMODJXOTWYBOZ-UHFFFAOYSA-N | 2-methyl-N-phenylaniline | 2-methyl-N-phenyl-aniline | Phenyl-o-tolyl-amine | SCHEMBL304152 | MFCD01318642 | A804533 | AKOS006280476 | SY108419 | Tolylphenylaminfarb

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

DS-6953 | BENZENAMINE,2-METHYL-N-PHENYL- | DTXSID00450829 | JTMODJXOTWYBOZ-UHFFFAOYSA-N | 2-methyl-N-phenylaniline | 2-methyl-N-phenyl-aniline | Phenyl-o-tolyl-amine | SCHEMBL304152 | MFCD01318642 | A804533 | AKOS006280476 | SY108419 | Tolylphenylaminfarb

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504765841

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765841

Sorrisos canónicos

CC1=CC=CC=C1NC2=CC=CC=C2

IUPAC Name

2-methyl-N-phenylaniline

InChIKey

JTMODJXOTWYBOZ-UHFFFAOYSA-N

INCHI

1S/C13H13N/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10,14H,1H3

SMILES isoméricas

CC1=CC=CC=C1NC2=CC=CC=C2

Peso molecular

183.25

Reaxy-Rn

2690981

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2690981&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Primary aromatic amines Secondary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Primary aromatic amine - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

Propriedades químicas e físicas

• Peso molecular: 183.250 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.105 Da
• Monoisotopic Mass: 183.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 161.000
• 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