(S)-(-)-Piperazine-2-carboxylic acid dihydrochloride - ≥98% , CAS No.158663-69-5

CAS: 158663-69-5 Cat. No.: P124229 Molecular Weight: 203.07 Beilstein Registry Number: 7312035 EC Number: 627-925-8 PubChem CID: 2734260

GRADE & PURITY ≥98%

Synonyms

DS-0830 | AKOS015845422 | AM20080424 | (S)-Piperazine-2-carboxylic acid dihydrochloride | 2-piperazinecarboxylic acid, dihydrochloride, (2s)- | (S)-Piperazine-2-carboxylicaciddihydrochloride | (2S)-piperazine-2-carboxylic acid dihydrochloride | (S)-(-)-PI

Storage

Room temperature

Shipped In

Normal

Overview

Preparation of (S)-piperazine-2-carboxylic acid, (R)-piperazine-2-carboxylic acid, and (S)-piperidine-2-carboxylic acid by kinetic resolution of the corresponding racemic carboxamides with stereoselective amidases in whole bacterial cells.

Specifications

Synonyms

DS-0830 | AKOS015845422 | AM20080424 | (S)-Piperazine-2-carboxylic acid dihydrochloride | 2-piperazinecarboxylic acid, dihydrochloride, (2s)- | (S)-Piperazine-2-carboxylicaciddihydrochloride | (2S)-piperazine-2-carboxylic acid dihydrochloride | (S)-(-)-PI

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504761097
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761097
• Canonical Smiles: C1CNC(CN1)C(=O)O.Cl.Cl
• IUPAC Name: (2S)-piperazine-2-carboxylic acid;dihydrochloride
• InChIKey: WNSDZBQLMGKPQS-FHNDMYTFSA-N
• INCHI: 1S/C5H10N2O2.2ClH/c8-5(9)4-3-6-1-2-7-4;;/h4,6-7H,1-3H2,(H,8,9);2*1H/t4-;;/m0../s1
• Isomeric SMILES: C1CN[C@@H](CN1)C(=O)O.Cl.Cl
• WGK Germany: 3
• PubChem CID: 2734260
• Molecular Weight: 203.07
• Beilstein: 7312035

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 Alpha amino acids
              • Level8 L-alpha-amino acids

• 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 - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Piperazine carboxylic acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: L-alpha-amino acid - Piperazine-2-carboxylic acid - 1,4-diazinane - Piperazine - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Hydrochloride - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-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

• Sensitivity: Hygroscopic
• Specific Rotation[α]: -5°(c=1 in water)
• Melt Point(°C): 280°C
• Molecular Weight: 203.060 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 202.028 Da
• Monoisotopic Mass: 202.028 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 116.000
• 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: 3

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