4-(4-Aminophenyl)butyric acid - ≥95% , CAS No.15118-60-2

CAS: 15118-60-2 Cat. No.: A124483 Molecular Weight: 179.22 EC Number: 628-142-4

GRADE & PURITY ≥95%

Synonyms

3-DIETHYLAMINOPROPYLCHLORIDEHYDROCHLORIDE | FT-0600815 | Benzenebutanoic acid, 4-amino- | 4-(4-aminophenyl) butyric acid | AM20060516 | 4-(P-AMINOPHENYL)BUTYRIC ACID | NSC27531 | NSC-27531 | AKOS004117887 | DS-12283 | A18230 | 4-(4aminophenyl)butyric acid

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3-DIETHYLAMINOPROPYLCHLORIDEHYDROCHLORIDE | FT-0600815 | Benzenebutanoic acid, 4-amino- | 4-(4-aminophenyl) butyric acid | AM20060516 | 4-(P-AMINOPHENYL)BUTYRIC ACID | NSC27531 | NSC-27531 | AKOS004117887 | DS-12283 | A18230 | 4-(4aminophenyl)butyric acid

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488183036
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183036
• Canonical Smiles: C1=CC(=CC=C1CCCC(=O)O)N
• IUPAC Name: 4-(4-aminophenyl)butanoic acid
• InChIKey: RBHLFWNKEWLHBP-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3,11H2,(H,12,13)
• Isomeric SMILES: C1=CC(=CC=C1CCCC(=O)O)N
• WGK Germany: 3
• Molecular Weight: 179.22
• Reaxy-Rn: 2446637
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2446637&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - 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

Associated Targets(Human)

SH-SY5Y (11521 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

HD1 Histone deacetylase (38 Activities)

Discover Target: HD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 121-124°C
• Molecular Weight: 179.220 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 179.095 Da
• Monoisotopic Mass: 179.095 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• 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