tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate acetate - ≥97%

Cat. No.: T175483

GRADE & PURITY ≥97%

Synonyms

acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate | 4-Morpholinecarboxylic acid, 2-(aminomethyl)-, 1,1-dimethylethyl ester, acetate (1:1), (2R)- | AKOS030524054 | P16753 | (R)-tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate acetate |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate | 4-Morpholinecarboxylic acid, 2-(aminomethyl)-, 1, 1-dimethylethyl ester, acetate (1:1), (2R)- | AKOS030524054 | P16753 | (R)-tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate acetate |

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(=O)O.CC(C)(C)OC(=O)N1CCOC(C1)CN
• IUPAC Name: acetic acid;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate
• InChIKey: RMRCEKSGXTWEQD-DDWIOCJRSA-N
• INCHI: 1S/C10H20N2O3.C2H4O2/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;1-2(3)4/h8H,4-7,11H2,1-3H3;1H3,(H,3,4)/t8-;/m1./s1

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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 Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Morpholine-4-carboxylic acid - Carbamic acid ester - Carbonic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 276.330 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 276.169 Da
• Monoisotopic Mass: 276.169 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 256.000
• 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: 2

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