N-Carbobenzoxyglycine 4-Nitrophenyl Ester - ≥98%(HPLC) , CAS No.1738-86-9

CAS: 1738-86-9 Cat. No.: N159588 Peso molecular: 330.3 Número EC: 217-097-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

Carbobenzoxyglycine p-nitrophenyl ester | DTXSID30169659 | Glycine, N-((phenylmethoxy)carbonyl)-, 4-nitrophenyl ester | AKOS016003463 | GLYCINE, N-CARBOXY-, N-BENZYL ESTER, p-NITROPHENYL ESTER | 4-Nitrophenyl ([(benzyloxy)carbonyl]amino)acetate # | NSC405

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Carbobenzoxyglycine p-nitrophenyl ester | DTXSID30169659 | Glycine, N-((phenylmethoxy)carbonyl)-, 4-nitrophenyl ester | AKOS016003463 | GLYCINE, N-CARBOXY-, N-BENZYL ESTER, p-NITROPHENYL ESTER | 4-Nitrophenyl ([(benzyloxy)carbonyl]amino)acetate # | NSC405

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504752685
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752685
• Sonrisas canónicas: C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: (4-nitrophenyl) 2-(phenylmethoxycarbonylamino)acetate
• InChIKey: LHFNPUGRSYOPLF-UHFFFAOYSA-N
• INCHI: 1S/C16H14N2O6/c19-15(24-14-8-6-13(7-9-14)18(21)22)10-17-16(20)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,20)
• Isómeros SMILES: C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
• RTECS: MB9139000
• Peso molecular: 330.3
• Reaxy-Rn: 1916980
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1916980&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Phenol esters Benzyloxycarbonyls Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Carbamate esters Carboxylic acid esters Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Benzyloxycarbonyl - Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carboxylic acid ester - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive
• Punto de fusión (°C): 128 °C
• Peso molecular: 330.290 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 330.085 Da
• Monoisotopic Mass: 330.085 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 436.000
• 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