(S)-Piperidin-3-ylmethanol - ≥95% , CAS No.144539-77-5

CAS: 144539-77-5 Cat. No.: S587257 Molecular Weight: 115.18 EC Number: 696-282-3 PubChem CID: 853002

GRADE & PURITY ≥95%

Synonyms

(S)-Piperidin-3-ylmethanol | A808229 | ((S)-PIPERIDIN-3-YL)METHANOL | (S)-3-Piperidinemethanol | (S)-3-(hydroxymethyl)piperidine | W-205609 | 3-Piperidinemethanol,(3S)- | VUNPWIPIOOMCPT-LURJTMIESA-N | (3S)-piperidin-3-ylmethanol | SCHEMBL3303200 | (S-Pipe

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(S)-Piperidin-3-ylmethanol | A808229 | ((S)-PIPERIDIN-3-YL)METHANOL | (S)-3-Piperidinemethanol | (S)-3-(hydroxymethyl)piperidine | W-205609 | 3-Piperidinemethanol, (3S)- | VUNPWIPIOOMCPT-LURJTMIESA-N | (3S)-piperidin-3-ylmethanol | SCHEMBL3303200 | (S-Pipe

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, 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

• Canonical Smiles: C1CC(CNC1)CO
• IUPAC Name: [(3S)-piperidin-3-yl]methanol
• InChIKey: VUNPWIPIOOMCPT-LURJTMIESA-N
• INCHI: 1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2/t6-/m0/s1
• Isomeric SMILES: C1C[C@@H](CNC1)CO
• Alternate CAS: 144539-77-5
• PubChem CID: 853002
• Molecular Weight: 115.18

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: 1,3-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - 1,3-aminoalcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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

• Boil Point(°C): 240
• Molecular Weight: 115.170 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 65.500
• 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