1-사이클로프로필-1-페닐에탄올 - ≥95% , CAS No.5558-04-3

CAS: 5558-04-3 Cat. No.: C193913 분자식: C₁₁H₁₄O 분자량: 162.23

등급 & 순도 ≥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

실내 온도

Shipped In

보통

사양

동의어

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

사양 및 순도

≥95%

보관 조건

실내 온도

배송

보통

순수함

≥95%

이름과 식별자

Pubchem Sid

528754564

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

분자량

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
    • 분류 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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