4-아미노피라졸 - ≥95% , CAS No.28466-26-4

CAS: 28466-26-4 Cat. No.: A135058 분자식: C₃H₅N₃ 분자량: 83.09 EC 번호: 625-292-2

GRADE & PURITY ≥95%

Synonyms

AXINVSXSGNSVLV-UHFFFAOYSA-N | 1,2-diazolium-4-aminide | SY006645 | DTXSID90182682 | 4-Aminopyrazole | P2523 | 1-H-pyrazol-4-amine | 1H-Pyrazol-4-amine | 4-NH2-pyrazole | 4-Amino-1H-pyrazole | 1H-Pyrazol-4-amine (9CI) | InChI=1/C3H5N3/c4-3-1-5-6-2-3/h1-2H,

Storage

Argon charged,Room temperature

Shipped In

보통

개요

응용 분야

4-아미노피라졸은 제약 및 생물학적 활성 화합물 제조를 위한 다용도 빌딩 블록입니다. 4-아미노-1H-피라졸은 항경련 작용이 있는 것으로 밝혀져 간질 발작 치료에 사용할 수 있습니다.

Specifications

동의어

AXINVSXSGNSVLV-UHFFFAOYSA-N | 1,2-diazolium-4-aminide | SY006645 | DTXSID90182682 | 4-Aminopyrazole | P2523 | 1-H-pyrazol-4-amine | 1H-Pyrazol-4-amine | 4-NH2-pyrazole | 4-Amino-1H-pyrazole | 1H-Pyrazol-4-amine (9CI) | InChI=1/C3H5N3/c4-3-1-5-6-2-3/h1-2H,

사양 및 순도

≥95%

보관 조건

Argon charged,Room temperature

배송

보통

순수함

≥95%

이름과 식별자

• Pubchem Sid: 488185499
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185499
• 정식 스마일: C1=C(C=NN1)N
• IUPAC Name: 1H-pyrazol-4-amine
• InChIKey: AXINVSXSGNSVLV-UHFFFAOYSA-N
• INCHI: 1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)
• 이성체 SMILES: C1=C(C=NN1)N
• WGK 독일: 3
• RTECS: UQ4993000
• 분자량: 83.09
• Reaxy-Rn: 1619
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1619&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 감도: Light & Moisture & air sensitive
• 녹는점(°C): 77-82°C
• 분자량: 83.090 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 83.0483 Da
• Monoisotopic Mass: 83.0483 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 45.300
• 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: 1

참고 문헌

1. Yuxin Xie, Chenghao Yao, Lei Li, Zhan Lin.  (2023)  Two viologen-functionalized pyrazolide-based metal–organic frameworks for efficient CO2 photoreduction reaction.  Journal of Materials Chemistry A,  11  (8): (4261-4271).  [PMID:] [10.1039/D2TA09799K]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 28466-26-4, the molecular formula is C3H5N3, and the molecular weight is 83.09 g/mol. InChIKey AXINVSXSGNSVLV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.