2-methyladamantan-2-yl prop-2-enoate
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
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.
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].
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
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
220.146329876 g/mol
Monoisotopic Mass
220.146329876 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
304
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
