(S)-2-Boc-aminomethyl-piperidine - ≥95% , CAS No.139004-93-6

CAS: 139004-93-6 Cat. No.: S463611 Peso molecular: 214.309 Número EC: 856-766-9

GRADE & PURITY ≥95%

Synonyms

DTXSID401203087 | AKOS016843419 | MFCD11975335 | tert-butyl N-[[(2S)-piperidin-2-yl]methyl]carbamate | (S)-1-piperidin-2-ylmethyl-carbamic acid tert butyl ester | SCHEMBL1062309 | (S)-t-Butyl (piperidin-2-ylmethyl)carbamate | tert-butyl N-[(2S)-piperidin-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Description

Chiral building block developed using Liverpool ChiroChem-patented technology.

Specifications

Sinónimos

DTXSID401203087 | AKOS016843419 | MFCD11975335 | tert-butyl N-[[(2S)-piperidin-2-yl]methyl]carbamate | (S)-1-piperidin-2-ylmethyl-carbamic acid tert butyl ester | SCHEMBL1062309 | (S)-t-Butyl (piperidin-2-ylmethyl)carbamate | tert-butyl N-[(2S)-piperidin-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488191869
• Sonrisas canónicas: CC(C)(C)OC(=O)NCC1CCCCN1
• IUPAC Name: tert-butyl N-[[(2S)-piperidin-2-yl]methyl]carbamate
• InChIKey: DIRUVVRMWMDZAE-VIFPVBQESA-N
• INCHI: 1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)NC[C@@H]1CCCCN1
• Peso molecular: 214.309
• Reaxy-Rn: 4803206
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4803206&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 214.300 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 214.168 Da
• Monoisotopic Mass: 214.168 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 211.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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