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

CAS: 215917-99-0 Cat. No.: R182813 Peso molecular: 217.3 Número EC: 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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: 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
    • 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

• 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