(Fmoc-4-aminomethyl)-piperidine, HCl - ≥96% , CAS No.1049729-27-2

CAS: 1049729-27-2 Cat. No.: F1306336 Peso molecular: 336.433646 PubChem CID: 2756220

GRADE & PURITY ≥96%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCC1CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.Cl
• IUPAC Name: 9H-fluoren-9-ylmethyl N-(piperidin-4-ylmethyl)carbamate;hydrochloride
• InChIKey: VLBVRKBJLLWDNL-UHFFFAOYSA-N
• INCHI: 1S/C21H24N2O2.ClH/c24-21(23-13-15-9-11-22-12-10-15)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;/h1-8,15,20,22H,9-14H2,(H,23,24);1H
• Isómeros SMILES: C1CNCCC1CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.Cl
• PubChem CID: 2756220
• Peso molecular: 336.433646

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Piperidines Carbamate esters Organic carbonic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Piperidine - Carbamic acid ester - Carbonic acid derivative - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrochloride - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

Propiedades químicas y físicas

• Peso molecular: 372.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 372.16 Da
• Monoisotopic Mass: 372.16 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 427.000
• 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: 2

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