DL-Histidine monohydrochloride monohydrate - ≥99% , CAS No.123333-71-1

CAS: 123333-71-1 Cat. No.: H117212 Peso molecular: 209.63 Beilstein Registry Number: 4161354 Número EC: 822-734-8

GRADE & PURITY ≥99%

Synonyms

FT-0627600 | L-histidine, hydrochloride, hydrate | L-Histidine monohydrochloride | L-Histidine Hydrochloride Monohydrate | dl-histidine hydrochloride monohydrate | L-Histidine HCl monohydrate | 2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochlo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0627600 | L-histidine, hydrochloride, hydrate | L-Histidine monohydrochloride | L-Histidine Hydrochloride Monohydrate | dl-histidine hydrochloride monohydrate | L-Histidine HCl monohydrate | 2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochlo

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488189973
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189973
• Sonrisas canónicas: C1=C(NC=N1)CC(C(=O)O)N.O.Cl
• IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
• InChIKey: CMXXUDSWGMGYLZ-UHFFFAOYSA-N
• INCHI: 1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2
• Isómeros SMILES: C1=C(NC=N1)CC(C(=O)O)N.O.Cl
• WGK Alemania: 3
• Peso molecular: 209.63
• Beilstein: 4161354
• Reaxy-Rn: 27839587
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27839587&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: 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 Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Histidine or derivatives - Alpha-amino acid - Imidazolyl carboxylic acid derivative - Aralkylamine - Azole - Imidazole - Heteroaromatic compound - Amino acid - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: 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: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 253°C
• Peso molecular: 209.630 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 209.057 Da
• Monoisotopic Mass: 209.057 Da
• Topological Polar Surface Area: 93.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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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