3-(Boc-amino)piperidine - ≥97% , CAS No.172603-05-3

CAS: 172603-05-3 Cat. No.: B121539 Molecular Weight: 200.28 EC Number: 676-009-4

GRADE & PURITY ≥97%

Synonyms

3-piperidinyl-carbamic acid, 1,1-dimethylethyl ester | BB 0248299 | SY005515 | Z285919724 | 3-(tert.-butyloxycarbonylamino)-piperidine | A847289 | 3-(N-Boc-amino) piperidine | tert-butyl n-(3-piperidinyl)carbamate | Piperidin-3-yl-carbamic acid t-butyl es

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3-piperidinyl-carbamic acid, 1, 1-dimethylethyl ester | BB 0248299 | SY005515 | Z285919724 | 3-(tert.-butyloxycarbonylamino)-piperidine | A847289 | 3-(N-Boc-amino) piperidine | tert-butyl n-(3-piperidinyl)carbamate | Piperidin-3-yl-carbamic acid t-butyl es

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762930
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762930
• Canonical Smiles: CC(C)(C)OC(=O)NC1CCCNC1
• IUPAC Name: tert-butyl N-piperidin-3-ylcarbamate
• InChIKey: WUOQXNWMYLFAHT-UHFFFAOYSA-N
• INCHI: 1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)
• Isomeric SMILES: CC(C)(C)OC(=O)NC1CCCNC1
• WGK Germany: 3
• Molecular Weight: 200.28
• Reaxy-Rn: 7424193
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7424193&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 Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Carbamic acid ester - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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

• Melt Point(°C): 102-108°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: 199.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1