1-piperidina-propionato di etile - ≥98% , CAS No.19653-33-9

CAS: 19653-33-9 Cat. No.: E132699 Formula: C₁₀H₁₉NO₂ Peso molecolare: 185.27 Beilstein Registry Number: 20(5)3,42 Numero EC: 243-205-2

GRADE & PURITY ≥98%

Synonyms

acido 1-piperidinopropionico, estere etilico | 3-metilcarbamoilanilina | NSC 75594 | SCHEMBL4619736 | Etil 3-piperidin-1-ilpropionato | 1-piperidinopropanoacido, estere etilico | .beta.-(N-piperidino)-acido propionico estere etilico | 4-bromoindolo, 96% |

Storage

Room temperature

Shipped In

Normale

Specifications

Sinonimi

acido 1-piperidinopropionico, estere etilico | 3-metilcarbamoilanilina | NSC 75594 | SCHEMBL4619736 | Etil 3-piperidin-1-ilpropionato | 1-piperidinopropanoacido, estere etilico | .beta.-(N-piperidino)-acido propionico estere etilico | 4-bromoindolo, 96% |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488186476
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186476
• Sorrisi canonici: CCOC(=O)CCN1CCCCC1
• IUPAC Name: ethyl 3-piperidin-1-ylpropanoate
• InChIKey: MPAWVDTVWPPKJQ-UHFFFAOYSA-N
• INCHI: 1S/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3
• Isomeri SMILES: CCOC(=O)CCN1CCCCC1
• Peso molecolare: 185.27
• Beilstein: 20(5)3,42
• Reaxy-Rn: 130074
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=130074&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.46
• Punto di infiammabilità (°F): 87°C(lit.)
• Punto di infiammabilità (°C): 87°C(lit.)
• Punto di ebollizione (°C): 106 °C/13 mmHg
• Peso molecolare: 185.260 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 185.142 Da
• Monoisotopic Mass: 185.142 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 153.000
• 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