1-Methyl-4-piperidinemethanol - ≥97% , CAS No.20691-89-8

CAS: 20691-89-8 Cat. No.: M121881 Molecular Weight: 129.2 EC Number: 681-545-7

GRADE & PURITY ≥97%

Synonyms

F2167-0014 | 1-Methylpiperidine-4-methanol | A4494 | Prestwick0_000504 | (1-Methyl-piperidin-4-yl)-methanol | (1-methylpiperidin-4-yl)methanol | (1-methylpiperidin-4-yl)methanol;1-Methyl-4-piperidinemethanol | tris(2-hydroxyethyl)isocyanurate triacrylate

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

F2167-0014 | 1-Methylpiperidine-4-methanol | A4494 | Prestwick0_000504 | (1-Methyl-piperidin-4-yl)-methanol | (1-methylpiperidin-4-yl)methanol | (1-methylpiperidin-4-yl)methanol;1-Methyl-4-piperidinemethanol | tris(2-hydroxyethyl)isocyanurate triacrylate

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488189191
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189191
• Canonical Smiles: CN1CCC(CC1)CO
• IUPAC Name: (1-methylpiperidin-4-yl)methanol
• InChIKey: KJZLJGZZDNGGCA-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO/c1-8-4-2-7(6-9)3-5-8/h7,9H,2-6H2,1H3
• Isomeric SMILES: CN1CCC(CC1)CO
• WGK Germany: 3
• Molecular Weight: 129.2
• Reaxy-Rn: 103712
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103712&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: Trialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - 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

• Sensitivity: Air Sensitive
• Refractive Index: 1.476
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 108°C/10mmHg
• Molecular Weight: 129.199 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.115 Da
• Monoisotopic Mass: 129.115 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 77.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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