3-Hydroxy-1-methacryloyloxyadamantane - ≥98%(GC) , CAS No.115372-36-6

CAS: 115372-36-6 Cat. No.: H157098 Formula: C₁₄H₂₀O₃ Peso molecolare: 236.31 Numero EC: 811-088-2

GRADE & PURITY ≥98%(GC)

Synonyms

HAMA | FT-0654528 | 3-Hydroxy-1-adamantyl methacrylate | SCHEMBL172072 | AC-22313 | DTXSID20921703 | 3-hydroxyadamantan-1-yl 2-methylprop-2-enoate | (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate | AMY11165 | Methacrylic Acid 3-Hydroxy-1-adamantyl Ester |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

HAMA | FT-0654528 | 3-Hydroxy-1-adamantyl methacrylate | SCHEMBL172072 | AC-22313 | DTXSID20921703 | 3-hydroxyadamantan-1-yl 2-methylprop-2-enoate | (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate | AMY11165 | Methacrylic Acid 3-Hydroxy-1-adamantyl Ester |

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

504766790

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766790

Sorrisi canonici

CC(=C)C(=O)OC12CC3CC(C1)CC(C3)(C2)O

IUPAC Name

(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate

InChIKey

OOIBFPKQHULHSQ-UHFFFAOYSA-N

INCHI

1S/C14H20O3/c1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14/h10-11,16H,1,3-8H2,2H3

Isomeri SMILES

CC(=C)C(=O)OC12CC3CC(C1)CC(C3)(C2)O

Peso molecolare

236.31

Reaxy-Rn

11339416

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11339416&ln=

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: Enoate esters Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homopolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in methanol
• Punto di infiammabilità (°C): 133 ºC
• Punto di ebollizione (°C): 329 ºC
• Punto di fusione (°C): 89.0to93.0℃
• Peso molecolare: 236.310 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 236.141 Da
• Monoisotopic Mass: 236.141 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 371.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1