(R)-2-Boc-aminomethyl-piperidine - ≥95% , CAS No.139004-96-9

CAS: 139004-96-9 Cat. No.: I167163 Molecular Weight: 214.3 EC Number: 885-473-9

GRADE & PURITY ≥95%

Synonyms

AMY34048 | (r)-tert-butyl piperidin-2-ylmethyl carbamate | AKOS015918766 | A807470 | MFCD06738954 | (R)-PIPERIDIN-2-YLMETHYL-CARBAMIC ACID TERT-BUTYL ESTER | 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate | DIRUVVRMWMDZAE-SECBINFHSA-N | tert-buty

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AMY34048 | (r)-tert-butyl piperidin-2-ylmethyl carbamate | AKOS015918766 | A807470 | MFCD06738954 | (R)-PIPERIDIN-2-YLMETHYL-CARBAMIC ACID TERT-BUTYL ESTER | 1, 1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate | DIRUVVRMWMDZAE-SECBINFHSA-N | tert-buty

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Pubchem Sid: 488191868
• Canonical Smiles: CC(C)(C)OC(=O)NCC1CCCCN1
• IUPAC Name: tert-butyl N-[[(2R)-piperidin-2-yl]methyl]carbamate
• InChIKey: DIRUVVRMWMDZAE-SECBINFHSA-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-/m1/s1
• Isomeric SMILES: CC(C)(C)OC(=O)NC[C@H]1CCCCN1
• Molecular Weight: 214.3
• 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
    • 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

• Sensitivity: air sensitive；Moisture sensitive
• Melt Point(°C): 109-114 °C
• Molecular Weight: 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