4-D-Prolylmorpholine - ≥97% , CAS No.511295-97-9

CAS: 511295-97-9 Cat. No.: D1273861 분자식: C₉H₁₆N₂O₂ 분자량: 184.24

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• 정식 스마일: C1C[C@@H](NC1)C(=O)N2CCOCC2
• IUPAC Name: morpholin-4-yl-[(2R)-pyrrolidin-2-yl]methanone
• InChIKey: PKXDNQMIUVUJGQ-MRVPVSSYSA-N
• INCHI: 1S/C9H16N2O2/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11/h8,10H,1-7H2/t8-/m1/s1
• 분자량: 184.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Pyrrolidinecarboxamides Morpholines Tertiary carboxylic acid amides Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Morpholine - Oxazinane - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

화학 및 물리적 특성

• 분자량: 184.240 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 184.121 Da
• Monoisotopic Mass: 184.121 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 190.000
• 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