1-Adamantyl Acrylate

Inquiry

Molecular Formula:

C13H18O2

Molecular Weight:

206.28

CAS Number:

121601-93-2

Catalog Number:

121601-93-2

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

Canonical 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

272.133ºC at 760 mmHg

Melting Point

39 ℃

Flash Point

109 ℃

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.

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

3.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

206.130679813 g/mol

Monoisotopic Mass

206.130679813 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

264

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
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

The molarity calculator equation

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

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)