1-Cyclopropyl-1-phenylethanol - ≥95% , CAS No.5558-04-3

CAS: 5558-04-3 Cat. No.: C193913 Fórmula: C₁₁H₁₄O Peso molecular: 162.23

CALIDAD & PUREZA ≥95%

Synonyms

1-cyclopropyl-1-phenyl-ethanol | Methylcyclopropylphenylcarbinol | 1-cyclopropyl-1-phenylethan-1-ol | AMY19392 | 1-Phenyl-1-cyclopropyl ethanol | alpha-Cyclopropyl-alpha-methylbenzyl alcohol | SCHEMBL10306736 | NSC77105

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

1-cyclopropyl-1-phenyl-ethanol | Methylcyclopropylphenylcarbinol | 1-cyclopropyl-1-phenylethan-1-ol | AMY19392 | 1-Phenyl-1-cyclopropyl ethanol | alpha-Cyclopropyl-alpha-methylbenzyl alcohol | SCHEMBL10306736 | NSC77105

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

528754564

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528754564

Sonrisas canónicas

CC(C1CC1)(C2=CC=CC=C2)O

IUPAC Name

1-cyclopropyl-1-phenylethanol

InChIKey

ODESSVLMCLJHHD-UHFFFAOYSA-N

INCHI

1S/C11H14O/c1-11(12,10-7-8-10)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3

Isómeros SMILES

CC(C1CC1)(C2=CC=CC=C2)O

Peso molecular

162.23

Reaxy-Rn

2042484

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042484&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Tertiary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: 162.230 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 162.104 Da
• Monoisotopic Mass: 162.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 156.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1