(S)-N-Boc-2-hydroxymethylmorpholine - ≥98% , CAS No.135065-76-8

CAS: 135065-76-8 Cat. No.: S131732 Fórmula: C₁₀H₁₉NO₄ Peso molecular: 217.27 Número EC: 696-348-1

GRADE & PURITY ≥98%

Synonyms

AC-1427 | MFCD09260606 | A2885 | (R)-2-Hydroxymethylmorpholine-4-carboxylic acid tert-butyl ester | (S)-2-Hydroxymethyl-morpholine-4-carboxylic acid tert-butyl ester | (s)-tert-butyl 2-(hydroxymethyl)-morpholine-4-carboxylate | (S)-tert-butyl 2-(hydroxyme

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AC-1427 | MFCD09260606 | A2885 | (R)-2-Hydroxymethylmorpholine-4-carboxylic acid tert-butyl ester | (S)-2-Hydroxymethyl-morpholine-4-carboxylic acid tert-butyl ester | (s)-tert-butyl 2-(hydroxymethyl)-morpholine-4-carboxylate | (S)-tert-butyl 2-(hydroxyme

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488191889
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191889
• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCOC(C1)CO
• IUPAC Name: tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate
• InChIKey: FJYBLMJHXRWDAQ-QMMMGPOBSA-N
• INCHI: 1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCO[C@@H](C1)CO
• Peso molecular: 217.27
• Reaxy-Rn: 7991621
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7991621&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Sensibilidad: light sensitive
• 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

Preguntas frecuentes

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.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 135065-76-8, the molecular formula is C10H19NO4, and the molecular weight is 217.27 g/mol. InChIKey FJYBLMJHXRWDAQ-QMMMGPOBSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.