Nα-Carbobenzoxy-DL-asparagine - ≥99%(T) , CAS No.29880-22-6

CAS: 29880-22-6 Cat. No.: N159597 Peso molecular: 266.25 Número EC: 113-247-5

GRADE & PURITY ≥99%(T)

Synonyms

4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid | InChI=1/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17) | Cbz-DL-asparagine | NSC88498 | NSC-88498 | SY104419 | 4-amino-2-(benzyloxycarbon

Storage

Room temperature

Shipped In

Normal

Descripción general

Used in experimental research.

Specifications

Sinónimos

4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid | InChI=1/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5, 9H, 6-7H2, (H2, 13, 15)(H, 14, 18)(H, 16, 17) | Cbz-DL-asparagine | NSC88498 | NSC-88498 | SY104419 | 4-amino-2-(benzyloxycarbon

Especificaciones y pureza

≥99%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(T)

Nombres e identificadores

• Pubchem Sid: 488188981
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188981
• Sonrisas canónicas: C1=CC=C(C=C1)COC(=O)NC(CC(=O)N)C(=O)O
• IUPAC Name: 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
• InChIKey: FUCKRCGERFLLHP-UHFFFAOYSA-N
• INCHI: 1S/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)
• Isómeros SMILES: C1=CC=C(C=C1)COC(=O)NC(CC(=O)N)C(=O)O
• Peso molecular: 266.25
• Reaxy-Rn: 2566463
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2566463&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 Asparagine and derivatives

• 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: Asparagine and derivatives
• Alternative Parents: Benzyloxycarbonyls Fatty amides Carbamate esters Primary carboxylic acid amides Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Asparagine or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carbamic acid ester - Carboxamide group - Primary carboxylic acid amide - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): 304.9℃
• Punto de inflamación (°C): 304.9℃
• Punto de ebullición (°C): 580.6℃
• Punto de fusión (°C): 165℃
• Peso molecular: 266.250 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 266.09 Da
• Monoisotopic Mass: 266.09 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 339.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1