(Cbz-4-aminomethyl)piperidine - ≥96% , CAS No.132431-09-5

CAS: 132431-09-5 Cat. No.: C181178 Peso molecular: 248.32

GRADE & PURITY ≥96%

Synonyms

AS-37165 | SCHEMBL3947594 | SY020454 | benzyl N-[(piperidin-4-yl)methyl]carbamate | benzyl piperidin-4-ylmethylcarbamate | EN300-187622 | Carbamic acid,N-(4-piperidinylmethyl)-,phenylmethyl ester | AKOS015998642 | BZHPVEHRXAKHMV-UHFFFAOYSA-N | Carbamic ac

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AS-37165 | SCHEMBL3947594 | SY020454 | benzyl N-[(piperidin-4-yl)methyl]carbamate | benzyl piperidin-4-ylmethylcarbamate | EN300-187622 | Carbamic acid, N-(4-piperidinylmethyl)-, phenylmethyl ester | AKOS015998642 | BZHPVEHRXAKHMV-UHFFFAOYSA-N | Carbamic ac

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCC1CNC(=O)OCC2=CC=CC=C2
• IUPAC Name: benzyl N-(piperidin-4-ylmethyl)carbamate
• InChIKey: BZHPVEHRXAKHMV-UHFFFAOYSA-N
• INCHI: 1S/C14H20N2O2/c17-14(16-10-12-6-8-15-9-7-12)18-11-13-4-2-1-3-5-13/h1-5,12,15H,6-11H2,(H,16,17)
• Isómeros SMILES: C1CNCCC1CNC(=O)OCC2=CC=CC=C2
• Peso molecular: 248.32
• Reaxy-Rn: 4255386
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4255386&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Piperidines Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyloxycarbonyl - Piperidine - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 248.320 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 248.152 Da
• Monoisotopic Mass: 248.152 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 246.000
• 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