L-Proline β-naphthylamide hydrochloride - ≥98% , CAS No.97216-16-5

CAS: 97216-16-5 Cat. No.: L351741 Molecular Weight: 276.76 EC Number: 624-606-5 PubChem CID: 16218571

GRADE & PURITY ≥98%

Synonyms

L-Proline beta-naphthylamide hydrochloride, >=99% | L-Proline-2-naphthylamide hydrochloride | L-Proline beta-naphthylamide hydrochloride | L-Proline 2-naphthylamide hydrochloride | H-Pro-bNA HCl | MFCD00038937 | (S)-N-(naphthalen-2-yl)pyrrolidine-2-carbox

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

L-Proline beta-naphthylamide hydrochloride, >=99% | L-Proline-2-naphthylamide hydrochloride | L-Proline beta-naphthylamide hydrochloride | L-Proline 2-naphthylamide hydrochloride | H-Pro-bNA HCl | MFCD00038937 | (S)-N-(naphthalen-2-yl)pyrrolidine-2-carbox

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768352
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768352
• Canonical Smiles: C1CC(NC1)C(=O)NC2=CC3=CC=CC=C3C=C2.Cl
• IUPAC Name: (2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;hydrochloride
• InChIKey: UKXYCTFKKXKIPY-UQKRIMTDSA-N
• INCHI: 1S/C15H16N2O.ClH/c18-15(14-6-3-9-16-14)17-13-8-7-11-4-1-2-5-12(11)10-13;/h1-2,4-5,7-8,10,14,16H,3,6,9H2,(H,17,18);1H/t14-;/m0./s1
• Isomeric SMILES: C1C[C@H](NC1)C(=O)NC2=CC3=CC=CC=C3C=C2.Cl
• PubChem CID: 16218571
• Molecular Weight: 276.76

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 Alpha amino acids and derivatives
            • Level7 Proline 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 - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Alpha amino acid amides Naphthalenes Pyrrolidinecarboxamides N-arylamides Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid amide - Naphthalene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-arylamide - Benzenoid - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Azacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrochloride - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• Solubility: Soluble in Glacial Acetic Acid:Water (1:1): 50 mg/mL
• Sensitivity: Moisture sensitive
• Molecular Weight: 276.760 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 276.103 Da
• Monoisotopic Mass: 276.103 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 305.000
• 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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