4-Isopropylaniline - analytical standard, ≥99.7%(GC) , CAS No.99-88-7

CAS: 99-88-7 Cat. No.: I106863 Summenformel: C₉H₁₃N Molekulargewicht: 135.21 Beilstein Registry Number: 1930544 EG-Nummer: 202-797-2

GRADE & PURITY Analytical standard, ≥99.7%(GC)

Synonyms

AKOS000119635 | 0D54T7V7XL | AM20060471 | SCHEMBL5955 | D71250 | 4-(2-propyl)aniline | 4-isopropanylaniline | STL164349 | 4-Isopropylaniline, PESTANAL(R), analytical standard | 4isopropylaniline | 4-ISOPROPYLANILINE | 4-iso-propylaniline | 4-isopropyl-ani

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS000119635 | 0D54T7V7XL | AM20060471 | SCHEMBL5955 | D71250 | 4-(2-propyl)aniline | 4-isopropanylaniline | STL164349 | 4-Isopropylaniline, PESTANAL(R), analytical standard | 4isopropylaniline | 4-ISOPROPYLANILINE | 4-iso-propylaniline | 4-isopropyl-ani

Spezifikationen & Reinheit

analytical standard, ≥99.7%(GC)

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Reinheit

≥99.7%(GC)

Namen und Kennungen

• Pubchem Sid: 528771424
• Kanonisches Lächeln: CC(C)C1=CC=C(C=C1)N
• IUPAC Name: 4-propan-2-ylaniline
• InChIKey: LRTFPLFDLJYEKT-UHFFFAOYSA-N
• INCHI: 1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
• Isomere SMILES: CC(C)C1=CC=C(C=C1)N
• WGK Deutschland: 2
• Molekulargewicht: 135.21
• Beilstein: 1930544
• Reaxy-Rn: 1930544
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1930544&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Cumene - 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 cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• External Descriptors: substituted aniline

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

• Brechungsindex: 1.54
• Flammpunkt (°F): 197.6 °F
• Flammpunkt (°C): 92 °C
• Siedepunkt (°C): 224°C
• Molekulargewicht: 135.210 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• 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: 90.900
• 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