2-AMINOPHENANTHRENE - ≥98% , CAS No.3366-65-2

CAS: 3366-65-2 Cat. No.: A169676 Formule: C₁₄H₁₁N Poids moléculaire: 193.25 Numéro CE: 636-488-2

GRADE & PURITY ≥98%

Synonyms

2-Aminophenanthrene|phenanthren-2-amine|3366-65-2|2-Phenanthrenamine|2-Phenanthrylamine|58E72ZP80W|NSC-402372|CCRIS 7003|Phenanthren-2-ylamine|NSC 402372|BRN 2803482|UNII-58E72ZP80W|4-12-00-03440 (Beilstein Handbook Reference)|WLN: L B666J EZ|CHEMBL312946

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-Aminophenanthrene | phenanthren-2-amine | 3366-65-2 | 2-Phenanthrenamine | 2-Phenanthrylamine | 58E72ZP80W | NSC-402372 | CCRIS 7003 | Phenanthren-2-ylamine | NSC 402372 | BRN 2803482 | UNII-58E72ZP80W | 4-12-00-03440 (Beilstein Handbook Reference) | WLN: L B666J EZ | CHEMBL312946

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504755115
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755115
• Sourires canoniques: C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)N
• IUPAC Name: phenanthren-2-amine
• InChIKey: ZEAWSFHWVLOENK-UHFFFAOYSA-N
• INCHI: 1S/C14H11N/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H,15H2
• Isomères SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)N
• Poids moléculaire: 193.25
• Reaxy-Rn: 2803482
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803482&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Naphthalenes Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Naphthalene - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 193.240 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 193.089 Da
• Monoisotopic Mass: 193.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 225.000
• 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