Fmoc-3-(4-aminophenyl)-propionic Acid - ≥95% , CAS No.882847-07-6

CAS: 882847-07-6 Cat. No.: F700181 Formule: C₂₄H₂₁NO₄ Poids moléculaire: 387.44 Numéro CE: 857-457-1 PubChem CID: 2755932

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=C(C=C4)CCC(=O)O
• IUPAC Name: 3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]propanoic acid
• InChIKey: KPJLWYDRVBUVDL-UHFFFAOYSA-N
• INCHI: 1S/C24H21NO4/c26-23(27)14-11-16-9-12-17(13-10-16)25-24(28)29-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,12-13,22H,11,14-15H2,(H,25,28)(H,26,27)
• Isomères SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=C(C=C4)CCC(=O)O
• PubChem CID: 2755932
• Poids moléculaire: 387.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Phenylpropanoic acids Phenylcarbamic acid esters Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Phenylcarbamic acid ester - 3-phenylpropanoic-acid - Monocyclic benzene moiety - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 387.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 387.147 Da
• Monoisotopic Mass: 387.147 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 549.000
• 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