3-(Aminomethyl)piperidine - ≥98%(GC)(T) , CAS No.23099-21-0

CAS: 23099-21-0 Cat. No.: A151610 Molecular Weight: 114.19 EC Number: 245-428-0

GRADE & PURITY ≥98%(GC)(T)

Synonyms

1,1-Dimethylethyl (4R-cis)-6-Aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate | 2,4-difluorophenylsulfonyl chloride | EN300-295862 | AS-44394 | IPOVLZSJBYKHHU-UHFFFAOYSA-N | 3-piperidinemethanamine | DTXSID70945777 | MFCD03427344 | rac.-3-aminomethylpiperidi

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1, 1-Dimethylethyl (4R-cis)-6-Aminoethyl-2, 2-dimethyl-1, 3-dioxane-4-acetate | 2, 4-difluorophenylsulfonyl chloride | EN300-295862 | AS-44394 | IPOVLZSJBYKHHU-UHFFFAOYSA-N | 3-piperidinemethanamine | DTXSID70945777 | MFCD03427344 | rac.-3-aminomethylpiperidi

Specifications & Purity

≥98%(GC)(T)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(GC)(T)

Names and Identifiers

• Canonical Smiles: C1CC(CNC1)CN
• IUPAC Name: piperidin-3-ylmethanamine
• InChIKey: IPOVLZSJBYKHHU-UHFFFAOYSA-N
• INCHI: 1S/C6H14N2/c7-4-6-2-1-3-8-5-6/h6,8H,1-5,7H2
• Isomeric SMILES: C1CC(CNC1)CN
• Molecular Weight: 114.19
• Reaxy-Rn: 103059
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103059&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: Dialkylamines Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - 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

• Sensitivity: Air sensitive
• Refractive Index: 1.49
• Flash Point(°C): 77°C(lit.)
• Boil Point(°C): 89°C/18mmHg(lit.)
• Molecular Weight: 114.190 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.116 Da
• Monoisotopic Mass: 114.116 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 63.500
• 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