2-[6-(hydroxymethyl)-2-pyridyl]propan-2-ol - ≥97% , CAS No.933791-33-4

CAS: 933791-33-4 Cat. No.: P635192 Peso molecular: 167.2 PubChem CID: 19104316

GRADE & PURITY ≥97%

Synonyms

DTXSID70598126 | SB84583 | BS-42990 | FT-0657007 | SY238322 | 2-[6-(Hydroxymethyl)-2-pyridyl]-2-propanol | MFCD11046664 | SCHEMBL536688 | A844574 | alpha,alpha-Dimethyl-2,6-pyridinedimethanol | XYZUUYCGBQQGRC-UHFFFAOYSA-N | 2-[6-(hydroxymethyl)-2-pyridyl]

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID70598126 | SB84583 | BS-42990 | FT-0657007 | SY238322 | 2-[6-(Hydroxymethyl)-2-pyridyl]-2-propanol | MFCD11046664 | SCHEMBL536688 | A844574 | alpha, alpha-Dimethyl-2, 6-pyridinedimethanol | XYZUUYCGBQQGRC-UHFFFAOYSA-N | 2-[6-(hydroxymethyl)-2-pyridyl]

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C1=CC=CC(=N1)CO)O
• IUPAC Name: 2-[6-(hydroxymethyl)pyridin-2-yl]propan-2-ol
• InChIKey: XYZUUYCGBQQGRC-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO2/c1-9(2,12)8-5-3-4-7(6-11)10-8/h3-5,11-12H,6H2,1-2H3
• Isómeros SMILES: CC(C)(C1=CC=CC(=N1)CO)O
• CAS alternativo: 933791-33-4
• PubChem CID: 19104316
• Peso molecular: 167.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Tertiary alcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of 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

Propiedades químicas y físicas

• Peso molecular: 167.200 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.095 Da
• Monoisotopic Mass: 167.095 Da
• Topological Polar Surface Area: 53.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 147.000
• 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