1-Ethyl-1H-pyrazol-3-amine - ≥97% , CAS No.55361-49-4

CAS: 55361-49-4 Cat. No.: E634099 分子式: C₅H₉N₃ 分子量: 111.14 EC番号: 832-871-5 PubChem CID: 12198109

GRADE & PURITY ≥97%

Synonyms

1-ethyl-3-amino-1H-pyrazole | P20590 | STK349197 | AKOS000305048 | BB 0252773 | BBL016220 | MFCD03422571 | PZJGLURDALTFPQ-UHFFFAOYSA-N | 3-amino-1-ethyl-1H-pyrazole | 3-amino-1-ethylpyrazole | A8017 | TQP1399 | 1-ethylpyrazol-3-amine | TS-01552 | 1H-Pyraz

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

同義語

1-ethyl-3-amino-1H-pyrazole | P20590 | STK349197 | AKOS000305048 | BB 0252773 | BBL016220 | MFCD03422571 | PZJGLURDALTFPQ-UHFFFAOYSA-N | 3-amino-1-ethyl-1H-pyrazole | 3-amino-1-ethylpyrazole | A8017 | TQP1399 | 1-ethylpyrazol-3-amine | TS-01552 | 1H-Pyraz

仕様と純度

≥97%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

528754318

カノニカル・スマイル

CCN1C=CC(=N1)N

IUPAC Name

1-ethylpyrazol-3-amine

InChIKey

PZJGLURDALTFPQ-UHFFFAOYSA-N

INCHI

1S/C5H9N3/c1-2-8-4-3-5(6)7-8/h3-4H,2H2,1H3,(H2,6,7)

異性体SMILES

CCN1C=CC(=N1)N

代替CAS番号

55361-49-4

PubChem CID

12198109

分子量

111.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Imidolactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Imidolactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidolactams
• Alternative Parents: Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidolactam - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as imidolactams. These are cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom.
• 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

作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive
• 分子量: 111.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.08 Da
• Monoisotopic Mass: 111.08 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.100
• 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