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

CAS: 1639-31-2 Cat. No.: T305100 Summenformel: C₉H₁₃N Molekulargewicht: 135.21 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528757848
• Kanonisches Lächeln: 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
• Isomere SMILES: CC1=CC(=CC(=C1C)C)N
• PubChem CID: 74227
• Molekulargewicht: 135.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 246.9°C
• Schmelzpunkt (°C): 79-80°C
• Molekulargewicht: 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