1-Adamantyl Acrylate
Product Information
Molecular Formula
C13H18O2
Molecular Weight
206.28
Description
1-Adamantyl Acrylate is a specialized biomedical compound. Primarily used in medicinal chemistry and pharmaceutical research, it is key in the synthesis of drugs treating diseases like cancer and neurological disorders within the biomedical industry.
Synonyms
1-Adamantyl acrylate; Tricyclo[3.3.1.13,7]dec-1-ylester-2-propenoic acid
IUPAC Name
1-adamantyl prop-2-enoate
SMILES
C=CC(=O)OC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H18O2/c1-2-12(14)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h2,9-11H,1,3-8H2
InChI Key
PHPRWKJDGHSJMI-UHFFFAOYSA-N
Boiling Point
272.133°C at 760 mmHg
Melting Point
39 °C
Flash Point
109 °C
Purity
95%
Density
1.09
Appearance
White to Almost white powder to crystal
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
3.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
206.130679813 g/mol
Monoisotopic Mass
206.130679813 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
264
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 |
| CN-113755059-A | Photosensitive resin-based conductive ink and preparation method and application thereof | 2021-09-08 |
| JP-6996656-B1 | Colored layer forming composition, optical film and display device | 2021-08-17 |
| CN-113214427-A | Bio-based ArF photoresist film-forming resin, photoresist composition and preparation method thereof | 2021-04-28 |
| CN-113214428-A | Bio-based star ArF photoresist film-forming resin, photoresist composition and preparation method thereof | 2021-04-28 |
| CN-113214429-A | ArF photoresist film-forming resin, preparation method thereof and photoresist composition | 2021-04-28 |
| CN-113219789-A | Star-shaped ArF photoresist film-forming resin, preparation method thereof and photoresist composition | 2021-04-28 |
| JP-6992207-B1 | Printed matter and ink composition | 2021-04-16 |
| KR-102337117-B1 | Shrinkage-reducing type polymer modified quick-hardening cement concrete composite and overlay pavement method for concrete using the same | 2021-04-08 |
| KR-102337102-B1 | A high early strength cement concrete composition having the improved freezing and thawing durability and salt damage resistance and repairing method of road pavement using the same | 2021-03-31 |
