2-methyladamantan-2-yl prop-2-enoate

Inquiry

Molecular Formula:

C14H20O2

Molecular Weight:

220.3074

CAS Number:

249562-06-9

Catalog Number:

249562-06-9

Product Information

Molecular Formula:

C14H20O2

Molecular Weight:

220.3074

Description

2-methyladamantan-2-yl prop-2-enoate is a biomedical compound used in the development of drugs for the treatment of various diseases. It acts as an inhibitor targeting specific enzymes involved in the progression of cancer, neurodegenerative disorders, and viral infections.

Synonyms

Acrylic Acid 2-Methyladamantan-2-yl Ester (stabilized with MEHQ)

IUPAC Name

(2-methyl-2-adamantyl) prop-2-enoate

Canonical SMILES

CC1(C2CC3CC(C2)CC1C3)OC(=O)C=C

InChI

InChI=1S/C14H20O2/c1-3-13(15)16-14(2)11-5-9-4-10(7-11)8-12(14)6-9/h3,9-12H,1,4-8H2,2H3

InChI Key

YRPLSAWATHBYFB-UHFFFAOYSA-N

Flash Point

115 °C

Purity

>98.0%(GC)

Appearance

Colorless to Light yellow to Light orange clear liquid

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

3.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

220.146329876 g/mol

Monoisotopic Mass

220.146329876 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

304

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-114133483-A	Acrylate film forming resin containing adamantane structure, photoresist and preparation method	2021-12-16
US-2022081571-A1	Energy ray-curable resin compositions and its cured products	2020-09-11
WO-2022045270-A1	Method for purifying compound or polymer	2020-08-27
JP-2022034589-A	UV curable adhesive composition, bonding method and articles using it	2020-08-19
KR-20220002155-A	Separator for lithium secondary battery and manufacturing method thereof	2020-06-30
WO-2022005211-A1	Separator for lithium secondary battery, manufacturing method therefor, and separator manufactured by same	2020-06-30
JP-2021189314-A	Method for manufacturing silicon-containing resist underlayer film	2020-05-29
WO-2021221171-A1	Composition for forming resist underlying film	2020-04-30
WO-2021201196-A1	Film-forming composition	2020-03-31
WO-2021201197-A1	Film-forming composition	2020-03-31

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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