4-Boc-2-morpholinecarboxylic acid - ≥98% , CAS No.189321-66-2

CAS: 189321-66-2 Cat. No.: B182383 Fórmula: C₁₀H₁₇NO₅ Peso molecular: 231.2 Número CE: 801-250-0

GRADE & PURITY ≥98%

Synonyms

4-{[(1,1-dimethylethyl)oxy]carbonyl}-2-morpholinecarboxylic acid | N-Boc-Morpholine-2-carboxylicacid | FT-0649818 | (+/-)-4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid | 4-Boc-2-morpholinecarboxylic acid | F8887-2255 | J-514518 | LGWMTRPJZFEWCX-UHFF

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-{[(1,1-dimethylethyl)oxy]carbonyl}-2-morpholinecarboxylic acid | N-Boc-Morpholine-2-carboxylicacid | FT-0649818 | (+/-)-4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid | 4-Boc-2-morpholinecarboxylic acid | F8887-2255 | J-514518 | LGWMTRPJZFEWCX-UHFF

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488192981

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192981

Sorrisos canónicos

CC(C)(C)OC(=O)N1CCOC(C1)C(=O)O

IUPAC Name

4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

InChIKey

LGWMTRPJZFEWCX-UHFFFAOYSA-N

INCHI

1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)

SMILES isoméricas

CC(C)(C)OC(=O)N1CCOC(C1)C(=O)O

Peso molecular

231.2

Reaxy-Rn

11440127

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11440127&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 Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine-4-carboxylic acid - Morpholine-2-carboxylic acid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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: 231.250 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 231.111 Da
• Monoisotopic Mass: 231.111 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 283.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1