3-Isopropylaniline - ≥98% , CAS No.5369-16-4

CAS: 5369-16-4 Cat. No.: I107961 Summenformel: C₉H₁₃N Molekulargewicht: 135.21 EG-Nummer: 611-035-1

GRADE & PURITY ≥98%

Synonyms

3-(1-METHYLETHYL)ANILINE | FT-0635650 | F21289 | m-Isopropylaniline | AKOS000121419 | 3-Isopropylaniline, AldrichCPR | MFCD00092918 | I0433 | STR09900 | Benzenamine, 3-(1-methylethyl)- | m-Isopropyl Aniline | SY005822 | m-Aminocumene | 3-iso-propyl-phenyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

3-(1-METHYLETHYL)ANILINE | FT-0635650 | F21289 | m-Isopropylaniline | AKOS000121419 | 3-Isopropylaniline, AldrichCPR | MFCD00092918 | I0433 | STR09900 | Benzenamine, 3-(1-methylethyl)- | m-Isopropyl Aniline | SY005822 | m-Aminocumene | 3-iso-propyl-phenyl

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488189893

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189893

Kanonisches Lächeln

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

IUPAC Name

3-propan-2-ylaniline

InChIKey

XCCNRBCNYGWTQX-UHFFFAOYSA-N

INCHI

1S/C9H13N/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,10H2,1-2H3

Isomere SMILES

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

Molekulargewicht

135.21

Reaxy-Rn

2205505

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205505&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: 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

• Löslichkeit: Solubility in water: Practically insoluble
• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.55
• Flammpunkt (°F): 102 °C
• Flammpunkt (°C): 102°C
• Siedepunkt (°C): 80 °C/3 mmHg
• 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: 98.900
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5369-16-4, the molecular formula is C9H13N, and the molecular weight is 135.21 g/mol. InChIKey XCCNRBCNYGWTQX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.