3,5-Dimethyl-1-pyrazolylformaminidium nitrate - ≥97% , CAS No.38184-47-3

CAS: 38184-47-3 Cat. No.: D138769 Peso molecular: 201.18 Beilstein Registry Number: 3599170 Número EC: 253-815-0

GRADE & PURITY ≥97%

Synonyms

AKOS022180739 | 1-Amidino-3,5-dimethylpyrazole nitrate | SY021653 | DTXSID80945581 | Nitric acid--3,5-dimethyl-1H-pyrazole-1-carboximidamide (1/1) | 3,5-dimethyl-1H-pyrazole-1-carboximidamide; nitric acid | 3,5-Dimethyl-1-pyrazolylformamidinium nitrate |

Storage

Room temperature

Shipped In

Normal

Descripción general

Application

Guanylating reagent for amines.

Specifications

Sinónimos

AKOS022180739 | 1-Amidino-3, 5-dimethylpyrazole nitrate | SY021653 | DTXSID80945581 | Nitric acid--3, 5-dimethyl-1H-pyrazole-1-carboximidamide (1/1) | 3, 5-dimethyl-1H-pyrazole-1-carboximidamide; nitric acid | 3, 5-Dimethyl-1-pyrazolylformamidinium nitrate |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=NN1C(=N)N)C.[N+](=O)(O)[O-]
• IUPAC Name: 3,5-dimethylpyrazole-1-carboximidamide;nitric acid
• InChIKey: AGYXIUAGBLMBGV-UHFFFAOYSA-N
• INCHI: 1S/C6H10N4.HNO3/c1-4-3-5(2)10(9-4)6(7)8;2-1(3)4/h3H,1-2H3,(H3,7,8);(H,2,3,4)
• Isómeros SMILES: CC1=CC(=NN1C(=N)N)C.[N+](=O)(O)[O-]
• WGK Alemania: 3
• RTECS: UQ6380000
• Peso molecular: 201.18
• Beilstein: 3599170
• Reaxy-Rn: 3599170
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3599170&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazoles
• Alternative Parents: Organic nitrates Heteroaromatic compounds Organic nitro compounds Organic nitric acids Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Organic nitrate - Organic nitro compound - Organic nitric acid or derivatives - Organic nitric acid - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Imine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
• 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): 167-168 °C (dec.) (lit.)
• Peso molecular: 201.180 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 201.086 Da
• Monoisotopic Mass: 201.086 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 169.000
• 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. Zonghua Tian, Yun Chen, Jingyi Zhou, Shilin Zhang, Hongrui Fan, Xuwen Li, Tao Sun, Chen Jiang.  (2025)  A Supramolecular Nanoscavengers: Based “Cargo-Exchange” Breaking Cholesterol Metabolic Dysregulation for Glioblastoma Therapy.  Advanced Science,      [PMID:41267386] [10.1002/advs.202519690]