(R)-3-Hydroxymethyl-4-boc-morpholine - ≥97% , CAS No.215917-99-0

CAS: 215917-99-0 Cat. No.: R182813 Fórmula: C₁₀H₁₉NO₄ Peso molecular: 217.3 Número CE: 633-670-3

GRADE & PURITY ≥97%

Synonyms

(R)-4-Boc-3-(hydroxymethyl)morpholine | J-014161 | (R)-4-Boc-(3-Hydroxymethyl)morpholine | AIQSXVGBMCJQAG-MRVPVSSYSA-N | (R)-(-)-3-hydroxymethyl-morpholine-4-carboxylic acid tert-butyl ester | (R)-4-Boc-3-hydroxymethylmorpholine | (3R)-4-(tert-butoxycarbo

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(R)-4-Boc-3-(hydroxymethyl)morpholine | J-014161 | (R)-4-Boc-(3-Hydroxymethyl)morpholine | AIQSXVGBMCJQAG-MRVPVSSYSA-N | (R)-(-)-3-hydroxymethyl-morpholine-4-carboxylic acid tert-butyl ester | (R)-4-Boc-3-hydroxymethylmorpholine | (3R)-4-(tert-butoxycarbo

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528753233

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528753233

Sorrisos canónicos

CC(C)(C)OC(=O)N1CCOCC1CO

IUPAC Name

tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate

InChIKey

AIQSXVGBMCJQAG-MRVPVSSYSA-N

INCHI

1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1

SMILES isoméricas

CC(C)(C)OC(=O)N1CCOC[C@H]1CO

Peso molecular

217.3

Reaxy-Rn

13675257

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13675257&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxazinanes
      • Subclass Morpholines
        • Level5 Morpholine carboxylic acids and derivatives
          • Level6 Morpholine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Morpholine carboxylic acids and derivatives
• Direct Parent: Morpholine carboxylic acids
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine-4-carboxylic acid - Carbamic acid ester - Carbonic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Alcohol - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups.
• 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

• Peso molecular: 217.260 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 217.131 Da
• Monoisotopic Mass: 217.131 Da
• Topological Polar Surface Area: 59.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 224.000
• 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