리튬 3-모르폴리노프로파노에이트 - ≥95% , CAS No.1624261-85-3

CAS: 1624261-85-3 Cat. No.: L191313 분자식: C₇H₁₂LiNO₃ 분자량: 165.12 PubChem CID: 86280111

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

보통

Specifications

사양 및 순도

≥95%

보관 조건

Room temperature

배송

보통

순수함

≥95%

이름과 식별자

• 정식 스마일: [Li+].C1COCCN1CCC(=O)[O-]
• IUPAC Name: lithium;3-morpholin-4-ylpropanoate
• InChIKey: FJFWOWFFKRJOKU-UHFFFAOYSA-M
• INCHI: 1S/C7H13NO3.Li/c9-7(10)1-2-8-3-5-11-6-4-8;/h1-6H2,(H,9,10);/q;+1/p-1
• 이성체 SMILES: [Li+].C1COCCN1CCC(=O)[O-]
• PubChem CID: 86280111
• 분자량: 165.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Trialkylamines Carboxylic acid salts Amino acids Oxacyclic compounds Organic lithium salts Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Amino acid or derivatives - Carboxylic acid salt - Tertiary amine - Amino acid - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic lithium salt - Organic alkali metal salt - Azacycle - Oxacycle - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic salt - Amine - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• 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: 165.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 165.098 Da
• Monoisotopic Mass: 165.098 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 137.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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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