N-Benzyloxycarbonyl-D-alaninol - ≥98% , CAS No.61425-27-2

CAS: 61425-27-2 Cat. No.: B123476 Peso molecular: 209.24

GRADE & PURITY ≥98%

Synonyms

Pentanedioic acid, 3-methyl-3-phenyl- | Z-D-Ala-ol | (R)-2-Benzyloxycarbonylaminopropanol | CHEBI:141217 | 3,3-dimethyl glutaric anhydride | benzyl [(1R)-2-hydroxy-1-methylethyl]carbamate | AFPHMHSLDRPUSM-SECBINFHSA-N | (R)-2-(Cbz-amino)-1-propanol | SCHE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Pentanedioic acid, 3-methyl-3-phenyl- | Z-D-Ala-ol | (R)-2-Benzyloxycarbonylaminopropanol | CHEBI:141217 | 3, 3-dimethyl glutaric anhydride | benzyl [(1R)-2-hydroxy-1-methylethyl]carbamate | AFPHMHSLDRPUSM-SECBINFHSA-N | (R)-2-(Cbz-amino)-1-propanol | SCHE

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764407
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764407
• Sonrisas canónicas: CC(CO)NC(=O)OCC1=CC=CC=C1
• IUPAC Name: benzyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
• InChIKey: AFPHMHSLDRPUSM-SECBINFHSA-N
• INCHI: 1S/C11H15NO3/c1-9(7-13)12-11(14)15-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m1/s1
• Isómeros SMILES: C[C@H](CO)NC(=O)OCC1=CC=CC=C1
• WGK Alemania: 3
• Peso molecular: 209.24
• Reaxy-Rn: 2454550
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2454550&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Carbamate esters Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 82-84°C
• Peso molecular: 209.240 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 209.105 Da
• Monoisotopic Mass: 209.105 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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