3-(4-Chlorophenyl)propan-1-amine - ≥95% , CAS No.18655-50-0

CAS: 18655-50-0 Cat. No.: C191754 Formula: C₉H₁₂ClN Molecular Weight: 169.65 EC Number: 676-328-9

GRADE & PURITY ≥95%

Synonyms

AKOS000302351 | FT-0677864 | 3-(4-Chlorophenyl)propylamine | 3-(4-Chloro-phenyl)-propylamine | 3-(4-chlorophenyl)-propylamine | A880634 | BPW | 3-(4-chloro-phenyl)-propylamine, AldrichCPR | STK519333 | 3-(4-CHLOROPHENYL)-1-PROPANAMINE | DS-4829 | p-chloro

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS000302351 | FT-0677864 | 3-(4-Chlorophenyl)propylamine | 3-(4-Chloro-phenyl)-propylamine | 3-(4-chlorophenyl)-propylamine | A880634 | BPW | 3-(4-chloro-phenyl)-propylamine, AldrichCPR | STK519333 | 3-(4-CHLOROPHENYL)-1-PROPANAMINE | DS-4829 | p-chloro

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488195834
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195834
• Canonical Smiles: C1=CC(=CC=C1CCCN)Cl
• IUPAC Name: 3-(4-chlorophenyl)propan-1-amine
• InChIKey: RVLNDSYSQLMPRC-UHFFFAOYSA-N
• INCHI: 1S/C9H12ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2
• Isomeric SMILES: C1=CC(=CC=C1CCCN)Cl
• Molecular Weight: 169.65
• Reaxy-Rn: 2716670
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716670&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylpropylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylpropylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropylamines
• Alternative Parents: Chlorobenzenes Aralkylamines Aryl chlorides Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropylamine - Aralkylamine - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.
• 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

Chemical and Physical Properties

• Molecular Weight: 169.650 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• 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: 97.700
• 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

Frequently Asked Questions

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 18655-50-0, the molecular formula is C9H12ClN, and the molecular weight is 169.65 g/mol. InChIKey RVLNDSYSQLMPRC-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.