L-Histidine hydrochloride - anhydrous, ≥98% , CAS No.1007-42-7

CAS: 1007-42-7 Cat. No.: H586116 Molecular Weight: 155.15(free) EC Number: 213-754-2

GRADE & PURITY Anhydrous Grade, ≥98%

Synonyms

AKOS015898038 | L-Histidine hydrochloride | LP00566 | A867866 | J-521646 | Q27252266 | AI3-18473 | (S)-2-amino-3-(1H-imidazol-4-yl) | EN300-74584 | HISTIDINE HYDROCHLORIDE [WHO-DD] | (-)-Histidine monohydrochloride; Histidine hydrochloride; Histidine mono

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

AKOS015898038 | L-Histidine hydrochloride | LP00566 | A867866 | J-521646 | Q27252266 | AI3-18473 | (S)-2-amino-3-(1H-imidazol-4-yl) | EN300-74584 | HISTIDINE HYDROCHLORIDE [WHO-DD] | (-)-Histidine monohydrochloride; Histidine hydrochloride; Histidine mono

Specifications & Purity

anhydrous, ≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Grade

Anhydrous Grade

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754035
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754035
• Canonical Smiles: C1=C(NC=N1)CC(C(=O)O)N.Cl
• IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride
• InChIKey: QZNNVYOVQUKYSC-JEDNCBNOSA-N
• INCHI: 1S/C6H9N3O2.ClH/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H/t5-;/m0./s1
• Isomeric SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)N.Cl
• Molecular Weight: 155.15(free)
• Reaxy-Rn: 5153598
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5153598&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 Hydrochlorides 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 - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Hydrochloride - Organic oxygen compound - 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: 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

Associated Targets(Human)

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Cruzipain (33337 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 191.610 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 191.046 Da
• Monoisotopic Mass: 191.046 Da
• Topological Polar Surface Area: 92.000 Ų
• Heavy Atom Count: 12
• 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: 2

XLogP3

References

1. Chaoying Zhang, Qin Zhang, Yingchun Zhao, Dianquan Dong, Longjiang Huang.  (2024)  Determination of Titanium (IV) Oxide Nanoparticles Released from Textiles by Single Particle – Inductively Coupled Plasma – Mass Spectrometry (SP-ICP-MS).  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2023.2195186]