(5R)-5-amino-5-phenyl-pentanoic acid;hydrochloride - ≥97% , CAS No.1810074-59-9

CAS: 1810074-59-9 Cat. No.: A630649 Molecular Weight: 229.7 PubChem CID: 91844807

GRADE & PURITY ≥97%

Synonyms

GS-7184 | (5R)-5-Amino-5-phenylpentanoic acid-hcl | (5R)-5-amino-5-phenylpentanoic acid;hydrochloride | (R)-5-Amino-5-phenylpentanoic acid hydrochloride | 1810074-59-9 | (R)-5-Amino-5-phenylpentanoic acid HCl | Benzenepentanoic acid, delta-amino-, hydroch

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

GS-7184 | (5R)-5-Amino-5-phenylpentanoic acid-hcl | (5R)-5-amino-5-phenylpentanoic acid;hydrochloride | (R)-5-Amino-5-phenylpentanoic acid hydrochloride | 1810074-59-9 | (R)-5-Amino-5-phenylpentanoic acid HCl | Benzenepentanoic acid, delta-amino-, hydroch

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(CCCC(=O)O)N.Cl
• IUPAC Name: (5R)-5-amino-5-phenylpentanoic acid;hydrochloride
• InChIKey: NIKOCFCSZXBQTK-HNCPQSOCSA-N
• INCHI: 1S/C11H15NO2.ClH/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8,12H2,(H,13,14);1H/t10-;/m1./s1
• Isomeric SMILES: C1=CC=C(C=C1)[C@@H](CCCC(=O)O)N.Cl
• Alternate CAS: 1810074-59-9
• PubChem CID: 91844807
• Molecular Weight: 229.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Delta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Delta amino acids and derivatives
• Alternative Parents: Medium-chain fatty acids Aralkylamines Benzene and substituted derivatives Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Delta amino acid or derivatives - Medium-chain fatty acid - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
• 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: 229.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 229.087 Da
• Monoisotopic Mass: 229.087 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 176.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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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