Boc-D-Alaninol - ≥98%,≥98%(ee) , CAS No.106391-86-0

CAS: 106391-86-0 Cat. No.: B117129 Fórmula: C₈H₁₇NO₃ Peso molecular: 175.23 Beilstein Registry Number: 3648839 Número CE: 807-082-4

GRADE & PURITY ≥98%,≥98%(ee)

Synonyms

Boc-D-Ala-ol | Pharmakon1600-01504078 | BSPBio_003127 | tert-butyl N-[(1R)-2-hydroxy-1-methyl-ethyl]carbamate | tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate | (R)-(+)-2-(tert-Butoxycarbonylamino)-1-propanol | AKOS015909329 | GS-4215 | HY-W008185 | PD

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Boc-D-Ala-ol | Pharmakon1600-01504078 | BSPBio_003127 | tert-butyl N-[(1R)-2-hydroxy-1-methyl-ethyl]carbamate | tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate | (R)-(+)-2-(tert-Butoxycarbonylamino)-1-propanol | AKOS015909329 | GS-4215 | HY-W008185 | PD

Especificações e pureza

≥98%,≥98%(ee)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%,≥98%(ee)

Nomes e identificadores

• Pubchem Sid: 488198371
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198371
• Sorrisos canónicos: CC(CO)NC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
• InChIKey: PDAFIZPRSXHMCO-ZCFIWIBFSA-N
• INCHI: 1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1
• SMILES isoméricas: C[C@H](CO)NC(=O)OC(C)(C)C
• WGK Alemanha: 3
• Peso molecular: 175.23
• Beilstein: 3648839
• Reaxy-Rn: 4660531
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4660531&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Carbamic acids and derivatives
            • Level7 Carbamate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Carbamic acids and derivatives
• Direct Parent: Carbamate esters
• Alternative Parents: Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic 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

Propriedades químicas e físicas

• Rotação específica [α]: +11°, c = 1 in chloroform
• Ponto de fusão (°C): 57-61°C
• Peso molecular: 175.230 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 175.121 Da
• Monoisotopic Mass: 175.121 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.