1-Aminohydantoin Hydrochloride - analytical standard , CAS No.2827-56-7

CAS: 2827-56-7 Cat. No.: A114270 Peso molecular: 151.55 Beilstein Registry Number: 3699376 Número EC: 700-277-4

GRADE & PURITY Analytical standard

Synonyms

Broact | WEOHANUVLKERQI-UHFFFAOYSA-N | 1-Amino hydantoin hydrochloride | 5-HYDROXYDOPAMINEHYDROCHLORIDE | A819399 | APSUXPSYBJVPPS-YAUKWVCOSA-N | 1 -aminohydantoin hydrochloride | SY057205 | 2,4-Imidazolidinedione, 1-amino-, monohydrochloride | 1-Aminoimi

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Broact | WEOHANUVLKERQI-UHFFFAOYSA-N | 1-Amino hydantoin hydrochloride | 5-HYDROXYDOPAMINEHYDROCHLORIDE | A819399 | APSUXPSYBJVPPS-YAUKWVCOSA-N | 1 -aminohydantoin hydrochloride | SY057205 | 2, 4-Imidazolidinedione, 1-amino-, monohydrochloride | 1-Aminoimi

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: C1C(=O)NC(=O)N1N.Cl
• IUPAC Name: 1-aminoimidazolidine-2,4-dione;hydrochloride
• InChIKey: WEOHANUVLKERQI-UHFFFAOYSA-N
• INCHI: 1S/C3H5N3O2.ClH/c4-6-1-2(7)5-3(6)8;/h1,4H2,(H,5,7,8);1H
• Isómeros SMILES: C1C(=O)NC(=O)N1N.Cl
• WGK Alemania: 3
• Peso molecular: 151.55
• Beilstein: 3699376
• Reaxy-Rn: 3699376
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3699376&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolidines
      • Subclass Imidazolidines
        • Level5 Imidazolidinones
          • Level6 Imidazolidinediones
            • Level7 Hydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones
• Direct Parent: Hydantoins
• Alternative Parents: Alpha amino acids and derivatives Semicarbazides Dicarboximides Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hydantoin - Alpha-amino acid or derivatives - Dicarboximide - Semicarbazide - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
• 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): 201-205°C
• Peso molecular: 151.550 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 151.015 Da
• Monoisotopic Mass: 151.015 Da
• Topological Polar Surface Area: 75.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 143.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Referencias

1. Yong Song, Zhiyuan Jin, Jinsong Li, Wenjia Hao, Jiao Huang, Bo Jin, Rufang Peng.  (2024)  Low-Temperature Continuous Mechanochemical Synthesis of Hydantoin-Based Active Pharmaceutical Ingredients by Spiral Gas–Solid Two-Phase Flow.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.4c06480]

2. Yong Song, Jinsong Li, Shikang Liu, Bo Jin, Rufang Peng.  (2025)  Supramolecular Interaction-Mediated Diffusion Enhancement for Facilitated Synthesis of the Pharmaceutically Active Ingredient Dantrolene and Its Analogues via Spiral Gas–Solid Two-Phase Flow.  ORGANIC PROCESS RESEARCH & DEVELOPMENT,      [PMID:] [10.1021/acs.oprd.5c00291]

3. Xiongtao Yu, Haiping Xu, Rui Wang, Feng Zhou, Chunmin Yang.  (2026)  Highly Sensitive and Rapid Determination of 3-amino-2- oxazolidinone in Animal Food by AuNPs/CMP Modified Screen Printing Electrode.  ChemistrySelect,  11  (8): (e07116).  [PMID:] [10.1002/slct.202507116]

4. Yang Dong, Li Xiangyu, Wu Jing, Yao Tuanli, Chen Chaoxian, Li Xuhua, Chen Jifan, Lan Xueyun, Wang Jiao, Wang Haihua.  (2026)  Dual-signal molecularly imprinted electrochemical sensor based on bimetallic organic framework/AuNPs synergistic modification for picomolar-level semicarbazide detection.  MICROCHIMICA ACTA,  193  (4): (272).  [PMID:] [10.1007/s00604-026-07980-1]