Phenamazoline , CAS No.501-62-2

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

Synonyms

Phenamazoline|Phenamazoline [INN]|N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline|n-[(4,5-dihydro-1h-imidazol-2-yl)methyl]aniline|2-Anilinomethyl-2-imidazolin

Storage

Room temperature

Specifiche

Sinonimi

Phenamazoline | Phenamazoline [INN] | N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline | n-[(4,5-dihydro-1h-imidazol-2-yl)methyl]aniline | 2-Anilinomethyl-2-imidazolin

Condizioni di conservazione di stoccaggio

Room temperature

Proprietà del prodotto

ALogP

0.9

Nomi e identificatori

Sorrisi canonici

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)

Isomeri SMILES

C1CN=C(N1)CNC2=CC=CC=C2

PubChem CID

3084422

Peso molecolare

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
• Descrizione: 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

Obiettivi associati (umani)

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)

Discover Target: NISCH

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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 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

Domande frequenti

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.