4-[2-(1-Pipiridine)ethoxybenzoic acid hydrochloride - ≥98% , CAS No.84449-80-9

CAS: 84449-80-9 Cat. No.: P195250 Molecular Weight: 285.77 EC Number: 282-882-9 PubChem CID: 5743835

GRADE & PURITY ≥98%

Synonyms

4-(2-Piperidinoethoxy)benzoic acid HCl | NCGC00253659-01 | 4-[2-(1-Piperidyl)ethoxy]benzoicAcidHydrochloride | 4-[2-(1-Pipiridine)ethoxybenzoic acid hydrochloride | Benzoic acid, 4-(2-(1-piperidinyl)ethoxy)-, hydrochloride | UNII-TZ26192UEK | 4-(2-(piperi

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4-(2-Piperidinoethoxy)benzoic acid HCl | NCGC00253659-01 | 4-[2-(1-Piperidyl)ethoxy]benzoicAcidHydrochloride | 4-[2-(1-Pipiridine)ethoxybenzoic acid hydrochloride | Benzoic acid, 4-(2-(1-piperidinyl)ethoxy)-, hydrochloride | UNII-TZ26192UEK | 4-(2-(piperi

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)O.Cl
• IUPAC Name: 4-(2-piperidin-1-ylethoxy)benzoic acid;hydrochloride
• InChIKey: CMVTYSMYHSVDIU-UHFFFAOYSA-N
• INCHI: 1S/C14H19NO3.ClH/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15;/h4-7H,1-3,8-11H2,(H,16,17);1H
• Isomeric SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)O.Cl
• PubChem CID: 5743835
• Molecular Weight: 285.77

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Piperidines Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Piperidine - Amino acid or derivatives - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Hydrochloride - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 285.760 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 285.113 Da
• Monoisotopic Mass: 285.113 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 256.000
• 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

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