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

CAS: 5558-04-3 Cat. No.: C193913 Formule: C₁₁H₁₄O Poids moléculaire: 162.23

GRADE & PURITY ≥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

Specifications

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 528754564
• Sourires canoniques: 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
• Isomères SMILES: CC(C1CC1)(C2=CC=CC=C2)O
• Poids moléculaire: 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
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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