ethyl piperidin-4-ylacetate - ≥95% , CAS No.59184-90-6

CAS: 59184-90-6 Cat. No.: E343586 분자식: C₉H₁₇NO₂ 분자량: 171.24 EC 번호: 673-023-2

GRADE & PURITY ≥95%

Synonyms

ethyl 4-piperidineacetate | ethyl 2-(piperidin-4-yl)acetate | AM20100441 | EN300-30459 | Ethyl (piperidin-4-yl)acetate | ethyl 2-piperidin-4-ylacetate | 4-piperidineacetic acid ethyl ester | BCP21780 | ethyl 4-piperidine acetate | MFCD02183575 | Ethyl 4-p

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

ethyl 4-piperidineacetate | ethyl 2-(piperidin-4-yl)acetate | AM20100441 | EN300-30459 | Ethyl (piperidin-4-yl)acetate | ethyl 2-piperidin-4-ylacetate | 4-piperidineacetic acid ethyl ester | BCP21780 | ethyl 4-piperidine acetate | MFCD02183575 | Ethyl 4-p

사양 및 순도

≥95%

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

정식 스마일

CCOC(=O)CC1CCNCC1

IUPAC Name

ethyl 2-piperidin-4-ylacetate

InChIKey

IHSUFLCKRIHFGY-UHFFFAOYSA-N

INCHI

1S/C9H17NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3

이성체 SMILES

CCOC(=O)CC1CCNCC1

분자량

171.24

Reaxy-Rn

123161

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=123161&ln=

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 Delta amino acids and derivatives

• 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
• Direct Parent: Delta amino acids and derivatives
• Alternative Parents: Piperidines Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Delta amino acid or derivatives - Piperidine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxygen compound - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
• 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

• 감도: light sensitive
• 굴절률: n20D1.44 (Predicted)
• 끓는점(°C): ~232.8° C at 760 mmHg (Predicted)
• 분자량: 171.240 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 171.126 Da
• Monoisotopic Mass: 171.126 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 141.000
• 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: 1