trans-4-Phenyl-L-proline hydrochloride - ≥95% , CAS No.90657-53-7

CAS: 90657-53-7 Cat. No.: H195749 Molecular Weight: 227.69 EC Number: 618-613-2 PubChem CID: 49760515

GRADE & PURITY ≥95%

Synonyms

AC-7635 | (2S,4S)-4-Phenylpyrrolidine-2-carboxylic acid hydrochloride | DTXSID10678234 | L-Proline, 4-phenyl-, hydrochloride, trans- | (2S,4S)-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride | EN300-7377902 | GS-3298 | TRANS-4-PHENYL-L-PROLINE HYDROCH

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

AC-7635 | (2S, 4S)-4-Phenylpyrrolidine-2-carboxylic acid hydrochloride | DTXSID10678234 | L-Proline, 4-phenyl-, hydrochloride, trans- | (2S, 4S)-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride | EN300-7377902 | GS-3298 | TRANS-4-PHENYL-L-PROLINE HYDROCH

Specifications & Purity

≥95%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1C(CNC1C(=O)O)C2=CC=CC=C2.Cl
• IUPAC Name: (2S,4S)-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride
• InChIKey: LWFBRHSTNWMMGN-UXQCFNEQSA-N
• INCHI: 1S/C11H13NO2.ClH/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10+;/m1./s1
• Isomeric SMILES: C1[C@H](CN[C@@H]1C(=O)O)C2=CC=CC=C2.Cl
• PubChem CID: 49760515
• Molecular Weight: 227.69

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: Phenylpyrrolidines L-alpha-amino acids Pyrrolidine carboxylic acids Aralkylamines Benzene and substituted derivatives Pyrroles Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Proline or derivatives - 3-phenylpyrrolidine - Alpha-amino acid - L-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyrrole - Pyrrolidine - Amino acid - Azacycle - Secondary amine - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Aromatic heteromonocyclic 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

• Sensitivity: Light sensitive
• Molecular Weight: 227.690 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 227.071 Da
• Monoisotopic Mass: 227.071 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 211.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

XLogP3