1-Boc-4-ethylaminopiperidine - ≥98% , CAS No.264905-39-7

CAS: 264905-39-7 Cat. No.: B183288 Formula: C₁₂H₂₄N₂O₂ Peso molecolare: 228.3 Numero EC: 963-069-4

GRADE & PURITY ≥98%

Synonyms

1-Boc-4-Ethylaminopiperidine | 1-tert-Butoxycarbonyl-4-(ethylamino)piperidine | 1-t-butyloxycarbonyl-4-ethylamino-piperidine | AM100597 | tert-butyl 4-(ethylamino)piperidine-1-carboxylate;1-Boc-4-(ethylamino)piperidine | 4-ETHYLAMINO-PIPERIDINE-1-CARBOXYL

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

1-Boc-4-Ethylaminopiperidine | 1-tert-Butoxycarbonyl-4-(ethylamino)piperidine | 1-t-butyloxycarbonyl-4-ethylamino-piperidine | AM100597 | tert-butyl 4-(ethylamino)piperidine-1-carboxylate;1-Boc-4-(ethylamino)piperidine | 4-ETHYLAMINO-PIPERIDINE-1-CARBOXYL

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488199604

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199604

Sorrisi canonici

CCNC1CCN(CC1)C(=O)OC(C)(C)C

IUPAC Name

tert-butyl 4-(ethylamino)piperidine-1-carboxylate

InChIKey

SRDSJYNZSNVSGS-UHFFFAOYSA-N

INCHI

1S/C12H24N2O2/c1-5-13-10-6-8-14(9-7-10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3

Isomeri SMILES

CCNC1CCN(CC1)C(=O)OC(C)(C)C

Peso molecolare

228.3

Reaxy-Rn

8981546

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8981546&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Aminopiperidines Carbamate esters Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - 4-aminopiperidine - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Azacycle - Organopnictogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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

• Peso molecolare: 228.330 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 228.184 Da
• Monoisotopic Mass: 228.184 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 228.000
• 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