L-Histidine - PharmPure™, USP, ChP, JP, Ph.Eur. , CAS No.71-00-1

CAS: 71-00-1 Cat. No.: GMP1527772 Molecular Weight: 155.15 Beilstein Registry Number: 84088 EC Number: 200-745-3

GRADE & PURITY PharmPure™, USP, ChP, JP, Ph.Eur.

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

L-histidine has been used as a component in agar plates containing 5-fluorocytosine (5-FC) for the selection of yeast transformants. It has also been used as a component of adult mouse keratinocyte growth medium.

Specifications

Specifications & Purity

PharmPure™, USP, ChP, JP, Ph.Eur.

Biochemical and Physiological Mechanisms

An essential amino acid, precursor to histamine and a component of carnosine.

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Grade

ChP, JP, Ph.Eur., PharmPure™, USP

Names and Identifiers

• Canonical Smiles: C1=C(NC=N1)CC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
• InChIKey: HNDVDQJCIGZPNO-YFKPBYRVSA-N
• INCHI: 1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
• Isomeric SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)N
• WGK Germany: 1
• RTECS: MS3070000
• Alternate CAS: 71-00-1,26062-48-6
• MeSH Entry Terms: Histidine;Histidine, L isomer;Histidine, L-isomer;L-Histidine;L-isomer Histidine
• Molecular Weight: 155.15
• Beilstein: 84088
• Reaxy-Rn: 7800
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7800&ln=

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 Histidine 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: Histidine and derivatives
• Alternative Parents: L-alpha-amino acids Imidazolyl carboxylic acids and derivatives Aralkylamines Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Histidine or derivatives - Alpha-amino acid - L-alpha-amino acid - Imidazolyl carboxylic acid derivative - Aralkylamine - Azole - Imidazole - Heteroaromatic compound - Amino acid - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Common amino acids

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 water (15 mg/ml at 20 °C).
• Sensitivity: Light sensitive.
• Specific Rotation[α]: 13 ° (C=11, 6mol/L HCl)
• Melt Point(°C): 282°C
• Molecular Weight: 155.150 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 155.069 Da
• Monoisotopic Mass: 155.069 Da
• Topological Polar Surface Area: 92.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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: 1