3,4,5-Trimethylaniline - ≥98% , CAS No.1639-31-2

CAS: 1639-31-2 Cat. No.: T305100 Fórmula: C₉H₁₃N Peso molecular: 135.21 Número CE: 216-679-3 PubChem CID: 74227

GRADE & PURITY ≥98%

Synonyms

A882500 | GS-3886 | NSC403297 | NSC-403297 | 3,4,5-Trimethylaniline | 3.4.5-Trimethylanilin | MFCD00130022 | BXCUMAUHMPSRPZ-UHFFFAOYSA-N | AKOS006275173 | BCP04550 | 3,4,5-Trimethylbenzenamine | 3,4,5-Trimethyl-benzenamine | SCHEMBL112391 | SY104919 | 3,4

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

A882500 | GS-3886 | NSC403297 | NSC-403297 | 3,4,5-Trimethylaniline | 3.4.5-Trimethylanilin | MFCD00130022 | BXCUMAUHMPSRPZ-UHFFFAOYSA-N | AKOS006275173 | BCP04550 | 3,4,5-Trimethylbenzenamine | 3,4,5-Trimethyl-benzenamine | SCHEMBL112391 | SY104919 | 3,4

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528757848

Sorrisos canónicos

CC1=CC(=CC(=C1C)C)N

IUPAC Name

3,4,5-trimethylaniline

InChIKey

BXCUMAUHMPSRPZ-UHFFFAOYSA-N

INCHI

1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3

SMILES isoméricas

CC1=CC(=CC(=C1C)C)N

PubChem CID

74227

Peso molecular

135.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de ebulição (°C): 246.9°C
• Ponto de fusão (°C): 79-80°C
• Peso molecular: 135.210 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.300
• 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