4-(N-Boc-amino)piperidine - ≥98% , CAS No.73874-95-0

CAS: 73874-95-0 Cat. No.: N115469 Molecular Weight: 200.28 EC Number: 616-026-6

GRADE & PURITY ≥98%

Synonyms

4-(t-butoxycarbonylamino)piperidine | 4-[(tert-butyloxycarbonyl)amino]piperidine | 4-ter-Butoxycarbonylamino-piperidine | B2319 | STK501502 | CKXZPVPIDOJLLM-UHFFFAOYSA-N | tert-butylpiperidine-4-ylcarbamate | 4-(n-boc amino)piperidine | 4-(N-BOC amino)-pi

Storage

Room temperature

Shipped In

Normal

Overview

4-(N-Boc-amino)piperidone is a piperidone derivative.

Application：

4-(N-Boc-amino)piperidone may be used as a functionalization reagent for introduction of a primary and a tertiary amino group to poly(2-isopropyl-2-oxazoline.

Specifications

Synonyms

4-(t-butoxycarbonylamino)piperidine | 4-[(tert-butyloxycarbonyl)amino]piperidine | 4-ter-Butoxycarbonylamino-piperidine | B2319 | STK501502 | CKXZPVPIDOJLLM-UHFFFAOYSA-N | tert-butylpiperidine-4-ylcarbamate | 4-(n-boc amino)piperidine | 4-(N-BOC amino)-pi

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488191260
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191260
• Canonical Smiles: CC(C)(C)OC(=O)NC1CCNCC1
• IUPAC Name: tert-butyl N-piperidin-4-ylcarbamate
• InChIKey: CKXZPVPIDOJLLM-UHFFFAOYSA-N
• INCHI: 1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)
• Isomeric SMILES: CC(C)(C)OC(=O)NC1CCNCC1
• WGK Germany: 3
• Molecular Weight: 200.28
• Reaxy-Rn: 5931748
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5931748&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Carbamic acid ester - Carbonic acid derivative - Secondary aliphatic amine - Secondary amine - Azacycle - Organopnictogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air sensitive.
• Melt Point(°C): 162-166°C
• Molecular Weight: 200.280 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.152 Da
• Monoisotopic Mass: 200.152 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 193.000
• 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