Phenamazoline , CAS No.501-62-2

CAS: 501-62-2 Cat. No.: P668803 분자식: C₁₀H₁₃N₃ 분자량: 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

동의어

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

보관 조건

Room temperature

제품 특성

• ALogP: 0.9

이름과 식별자

• 정식 스마일: 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)
• 이성체 SMILES: C1CN=C(N1)CNC2=CC=CC=C2
• PubChem CID: 3084422
• 분자량: 175.23

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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

자주 묻는 질문

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.