(S)-3-Aminopiperidine - ≥95% , CAS No.80918-66-7

CAS: 80918-66-7 Cat. No.: S195143 Molecular Weight: 100.16

GRADE & PURITY ≥95%

Synonyms

SCHEMBL907696 | EN300-192973 | AM20090507 | C13585 | 3-(s)-amino-piperidine | A840006 | J-502519 | ?-Hydroxybenzylphosphinic Acid Sodium Salt | MFCD03093370 | AKOS015854521 | PEUGKEHLRUVPAN-YFKPBYRVSA-N | DTXSID40357621 | (3S)-piperidin-3-amine | (S)-pipe

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

SCHEMBL907696 | EN300-192973 | AM20090507 | C13585 | 3-(s)-amino-piperidine | A840006 | J-502519 | ?-Hydroxybenzylphosphinic Acid Sodium Salt | MFCD03093370 | AKOS015854521 | PEUGKEHLRUVPAN-YFKPBYRVSA-N | DTXSID40357621 | (3S)-piperidin-3-amine | (S)-pipe

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CC(CNC1)N
• IUPAC Name: (3S)-piperidin-3-amine
• InChIKey: PEUGKEHLRUVPAN-YFKPBYRVSA-N
• INCHI: 1S/C5H12N2/c6-5-2-1-3-7-4-5/h5,7H,1-4,6H2/t5-/m0/s1
• Isomeric SMILES: C1C[C@@H](CNC1)N
• Molecular Weight: 100.16
• Reaxy-Rn: 102686
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102686&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Aminopiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Aminopiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopiperidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 3-aminopiperidine - 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 aminopiperidines. These are compounds containing a piperidine that carries an amino group.
• 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

• Molecular Weight: 100.160 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.1 Da
• Monoisotopic Mass: 100.1 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.000
• 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