1-Bencil-4-(N-Boc-amino) piperidina - ≥98% , CAS No.73889-19-7

CAS: 73889-19-7 Cat. No.: B139233 Peso molecular: 290.4 Número EC: 626-763-5

GRADE & PURITY ≥98%

Synonyms

1-Benzyl-4-(Boc-amino)piperidine | Carbamic acid, [1-(phenylmethyl)-4-piperidinyl]-, 1,1-dimethylethyl ester | MFCD03093979 | 1-benzyl-4-tert-butoxycarbonylaminopiperidine | 4-(t-butoxycarbonylamino)-1-benzylpiperidine | DTXSID30403308 | tert-butyl 1-benz

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-Benzyl-4-(Boc-amino)piperidine | Carbamic acid, [1-(phenylmethyl)-4-piperidinyl]-, 1, 1-dimethylethyl ester | MFCD03093979 | 1-benzyl-4-tert-butoxycarbonylaminopiperidine | 4-(t-butoxycarbonylamino)-1-benzylpiperidine | DTXSID30403308 | tert-butyl 1-benz

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488194875
• Sonrisas canónicas: CC(C)(C)OC(=O)NC1CCN(CC1)CC2=CC=CC=C2
• IUPAC Name: tert-butyl N-(1-benzylpiperidin-4-yl)carbamate
• InChIKey: WFKLUNLIZMWKNF-UHFFFAOYSA-N
• INCHI: 1S/C17H26N2O2/c1-17(2,3)21-16(20)18-15-9-11-19(12-10-15)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,18,20)
• Isómeros SMILES: CC(C)(C)OC(=O)NC1CCN(CC1)CC2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 290.4
• Reaxy-Rn: 8423103
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8423103&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines Benzylamines Aralkylamines Carbamate esters Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring 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

Propiedades químicas y físicas

• Peso molecular: 290.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 290.199 Da
• Monoisotopic Mass: 290.199 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 324.000
• 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