(S)-3-Hydroxypiperidine hydrochloride - ≥98% , CAS No.475058-41-4

CAS: 475058-41-4 Cat. No.: H119141 Molecular Weight: 137.61 EC Number: 628-459-8

GRADE & PURITY ≥98%

Synonyms

H1538 | VLECDMDGMKPUSK-JEDNCBNOSA-N | EN300-188582 | STR09635 | (s)-(-)-3-hydroxypiperidine hydrochloride | (S)-3-Hydroxypiperidine hydrochloride, >=98.0% (GC) | 3-piperidinol, hydrochloride, (3s)- | (3S)-Piperidin-3-ol--hydrogen chloride (1/1) | (S)-3-Hy

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

H1538 | VLECDMDGMKPUSK-JEDNCBNOSA-N | EN300-188582 | STR09635 | (s)-(-)-3-hydroxypiperidine hydrochloride | (S)-3-Hydroxypiperidine hydrochloride, >=98.0% (GC) | 3-piperidinol, hydrochloride, (3s)- | (3S)-Piperidin-3-ol--hydrogen chloride (1/1) | (S)-3-Hy

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488199133
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199133
• Canonical Smiles: C1CC(CNC1)O.Cl
• IUPAC Name: (3S)-piperidin-3-ol;hydrochloride
• InChIKey: VLECDMDGMKPUSK-JEDNCBNOSA-N
• INCHI: 1S/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H/t5-;/m0./s1
• Isomeric SMILES: C1C[C@@H](CNC1)O.Cl
• WGK Germany: 3
• Molecular Weight: 137.61
• Reaxy-Rn: 4467911
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4467911&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: Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Azacycle - Alcohol - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrochloride - Hydrocarbon derivative - 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

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive.
• Specific Rotation[α]: -6.5±1.5° (c = 1 in methanol)
• Melt Point(°C): 198 °C
• Molecular Weight: 137.610 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.061 Da
• Monoisotopic Mass: 137.061 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 56.000
• 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: 2

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