1-Methylcycloheptanol - ≥97%, used for 1-Methylcycloheptanol, is used as an pharmaceutical and chemical intermediate. various applications , CAS No.3761-94-2

CAS: 3761-94-2 Cat. No.: M694579 Fórmula: C₈H₁₆O Peso molecular: 128.21 Número CE: 223-179-9 PubChem CID: 77376

GRAU & PUREZA ≥97%

Storage

Room temperature,Desiccated

Shipped In

Normal

Especificações

Especificações e pureza

≥97%

Aplicação

1-Methylcycloheptanol, is used as an pharmaceutical and chemical intermediate.

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CC1(CCCCCC1)O

IUPAC Name

1-methylcycloheptan-1-ol

InChIKey

XFFKAYOHINCUNU-UHFFFAOYSA-N

INCHI

1S/C8H16O/c1-8(9)6-4-2-3-5-7-8/h9H,2-7H2,1H3

SMILES isoméricas

CC1(CCCCCC1)O

PubChem CID

77376

Peso molecular

128.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Tertiary alcohol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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

Propriedades químicas e físicas

• Peso molecular: 128.210 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 128.12 Da
• Monoisotopic Mass: 128.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.600
• 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