Phenamazoline , CAS No.501-62-2

CAS: 501-62-2 Cat. No.: P668803 Fórmula: C₁₀H₁₃N₃ Peso molecular: 175.23 PubChem CID: 3084422

Synonyms

Phenamazoline | Phenamazoline [INN] | N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline | UNII-09L091X49E | 09L091X49E | n-[(4,5-dihydro-1h-imidazol-2-yl)methyl]aniline | 2-Anilinomethyl-2-imidazolin | DTXSID50862059 | BDBM50473129 | AKOS006273977 | FT-069237

Storage

Room temperature

Specifications

Sinónimos

Phenamazoline | Phenamazoline [INN] | N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline | UNII-09L091X49E | 09L091X49E | n-[(4,5-dihydro-1h-imidazol-2-yl)methyl]aniline | 2-Anilinomethyl-2-imidazolin | DTXSID50862059 | BDBM50473129 | AKOS006273977 | FT-069237

Condições de armazenamento de armazenamento

Room temperature

Propriedades do produto

• ALogP: 0.9

Nomes e identificadores

• Sorrisos canónicos: C1CN=C(N1)CNC2=CC=CC=C2
• IUPAC Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
• InChIKey: FPZTYKLEJPXTKD-UHFFFAOYSA-N
• INCHI: 1S/C10H13N3/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5,13H,6-8H2,(H,11,12)
• SMILES isoméricas: C1CN=C(N1)CNC2=CC=CC=C2
• PubChem CID: 3084422
• Peso molecular: 175.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Imidolactams Imidazolines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Imidolactam - 2-imidazoline - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboximidamide - Secondary amine - Azacycle - Amidine - Carboxylic acid amidine - Organic 1,3-dipolar compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group.
• 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

Alvos associados (humanos)

NISCH Tclin Nischarin (1 Activities)

Discover Target: NISCH

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NISCH Tclin Nischarin (304 Activities)

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

Alvos associados (não humanos)

Adra1b Adrenergic receptor alpha-1 (5652 Activities)

Discover Target: Adra1b

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

Adra2c Adrenergic receptor alpha-2 (3313 Activities)

Discover Target: Adra2c

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 175.230 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 175.111 Da
• Monoisotopic Mass: 175.111 Da
• Topological Polar Surface Area: 36.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 183.000
• 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: 1

Perguntas frequentes

How should this product be stored?

Store at room temperature.

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

The CAS Number is 501-62-2, the molecular formula is C10H13N3, and the molecular weight is 175.23 g/mol. InChIKey FPZTYKLEJPXTKD-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.