3-Cyclopropylaniline - ≥98% , CAS No.485402-64-0

CAS: 485402-64-0 Cat. No.: C193552 Formule: C₉H₁₁N Poids moléculaire: 133.19 Numéro CE: 819-336-1

GRADE & PURITY ≥98%

Synonyms

DTXSID40476189 | FT-0752899 | A871910 | SCHEMBL273350 | Z992239700 | EN300-104089 | LKJYNYKTZLTHJN-UHFFFAOYSA-N | MFCD06802404 | DS-6066 | BB 0223486 | 3-Cyclopropylaniline | 3-cyclopropyl-aniline | SY033396 | C75291 | AC-29760 | Benzenamine, 3-cyclopropy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

DTXSID40476189 | FT-0752899 | A871910 | SCHEMBL273350 | Z992239700 | EN300-104089 | LKJYNYKTZLTHJN-UHFFFAOYSA-N | MFCD06802404 | DS-6066 | BB 0223486 | 3-Cyclopropylaniline | 3-cyclopropyl-aniline | SY033396 | C75291 | AC-29760 | Benzenamine, 3-cyclopropy

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1CC1C2=CC(=CC=C2)N
• IUPAC Name: 3-cyclopropylaniline
• InChIKey: LKJYNYKTZLTHJN-UHFFFAOYSA-N
• INCHI: 1S/C9H11N/c10-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5,10H2
• Isomères SMILES: C1CC1C2=CC(=CC=C2)N
• Poids moléculaire: 133.19
• Reaxy-Rn: 9386603
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9386603&ln=

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 Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 133.190 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 133.089 Da
• Monoisotopic Mass: 133.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 118.000
• 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

Foire aux questions

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.

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 485402-64-0, the molecular formula is C9H11N, and the molecular weight is 133.19 g/mol. InChIKey LKJYNYKTZLTHJN-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.