4-Cyclopropylaniline hydrochloride - ≥95% , CAS No.1588440-94-1

CAS: 1588440-94-1 Cat. No.: C191184 分子式: C₉H₁₂ClN 分子量: 169.65 EC番号: 857-285-7

GRADE & PURITY ≥95%

Synonyms

4-cyclopropylphenylamine hydrochloride | A883385 | 4-Cyclopropylaniline hydrochloride | 4-CyclopropylanilineHydrochloride | SY114519 | SCHEMBL20543303 | AMY42341 | 4-CYCLOPROPYLANILINE HCL | Benzenamine, 4-cyclopropyl-, hydrochloride (1:1) | MFCD23703139

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

4-cyclopropylphenylamine hydrochloride | A883385 | 4-Cyclopropylaniline hydrochloride | 4-CyclopropylanilineHydrochloride | SY114519 | SCHEMBL20543303 | AMY42341 | 4-CYCLOPROPYLANILINE HCL | Benzenamine, 4-cyclopropyl-, hydrochloride (1:1) | MFCD23703139

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

• カノニカル・スマイル: C1CC1C2=CC=C(C=C2)N.Cl
• IUPAC Name: 4-cyclopropylaniline;hydrochloride
• InChIKey: RNBSVMVXEJNTQZ-UHFFFAOYSA-N
• INCHI: 1S/C9H11N.ClH/c10-9-5-3-8(4-6-9)7-1-2-7;/h3-7H,1-2,10H2;1H
• 異性体SMILES: C1CC1C2=CC=C(C=C2)N.Cl
• 分子量: 169.65
• Reaxy-Rn: 33634089
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33634089&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 169.650 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 169.066 Da
• Monoisotopic Mass: 169.066 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 110.000
• 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: 2

XLogP3

よくある質問

What is the purity of this product?

This product is supplied at ≥95% 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 1588440-94-1, the molecular formula is C9H12ClN, and the molecular weight is 169.65 g/mol. InChIKey RNBSVMVXEJNTQZ-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.