4-[2-(Fmoc-amino)ethyl]piperazin-1-ylacetic acid dihydrochloride - ≥98%(HPLC) , CAS No.204320-65-0

CAS: 204320-65-0 Cat. No.: F168408 Peso molecular: 482.4 PubChem CID: 2756132

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-Piperazineaceticacid,4-[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]-,hydrochloride(1:2) | FMOC-4-(2-AMINOETHYL)-(1-CARBOXY-METHYL)PIPERAZINE DIHYDROCHLORIDE | 2-(4-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)piperazin-1-yl)aceticaciddihydr

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-Piperazineaceticacid, 4-[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]-, hydrochloride(1:2) | FMOC-4-(2-AMINOETHYL)-(1-CARBOXY-METHYL)PIPERAZINE DIHYDROCHLORIDE | 2-(4-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)piperazin-1-yl)aceticaciddihydr

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1CCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O.Cl.Cl
• IUPAC Name: 2-[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]piperazin-1-yl]acetic acid;dihydrochloride
• InChIKey: YPIAQRIOWDEWLP-UHFFFAOYSA-N
• INCHI: 1S/C23H27N3O4.2ClH/c27-22(28)15-26-13-11-25(12-14-26)10-9-24-23(29)30-16-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21;;/h1-8,21H,9-16H2,(H,24,29)(H,27,28);2*1H
• Isómeros SMILES: C1CN(CCN1CCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O.Cl.Cl
• WGK Alemania: 3
• PubChem CID: 2756132
• Peso molecular: 482.4

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: Alpha amino acids N-alkylpiperazines Carbamate esters Trialkylamines Organic carbonic acids and derivatives Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid - Alpha-amino acid or derivatives - N-alkylpiperazine - 1,4-diazinane - Piperazine - Carbamic acid ester - Amino acid or derivatives - Amino acid - Carbonic acid derivative - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - 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: 482.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 481.154 Da
• Monoisotopic Mass: 481.154 Da
• Topological Polar Surface Area: 82.100 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 571.000
• 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: 3

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