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

CAS: 99-88-7 Cat. No.: I106863 Formule: C₉H₁₃N Poids moléculaire: 135.21 Beilstein Registry Number: 1930544 Numéro CE: 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

Synonymes

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

Spécifications et pureté

analytical standard, ≥99.7%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Pureté

≥99.7%(GC)

Noms et identifiants

Pubchem Sid

528771424

Sourires canoniques

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

Isomères SMILES

CC(C)C1=CC=C(C=C1)N

WGK Allemagne

2

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.54
• Point d'éclair (°F): 197.6 °F
• Point d'éclair (°C): 92 °C
• Point d'ébullition (°C): 224°C
• Poids moléculaire: 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