tert-Butyl N-allylcarbamate

Product Information

Molecular Formula:
C8H15NO2
Molecular Weight:
157.212
Description
tert-Butyl N-allylcarbamate is a profound bioactive compound extensively employed in the biomedical domain and exhibits immense promise as a therapeutic entity for precise drug administration and disease control. Its intricate configuration and properties render it a potential contender in the drug development of diverse ailments, including cancer and inflammation.
Synonyms
α-Vinylpyridine,2-Ethenylpyridine,2-Pyridylethylene
IUPAC Name
tert-butyl N-prop-2-enylcarbamate
Canonical SMILES
CC(C)(C)OC(=O)NCC=C
InChI
InChI=1S/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10)
InChI Key
AWARHXCROCWEAK-UHFFFAOYSA-N
Boiling Point
48-50°C/0.3mm
Melting Point
36-38°C
Flash Point
174.2 °CF - closed cup
Purity
95%
Density
0.938 g/mL at 25°C(lit.)

Safety Information

Hazards
H302

Computed Properties

XLogP3
1.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
157.110278721 g/mol
Monoisotopic Mass
157.110278721 g/mol
Topological Polar Surface Area
38.3Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
147
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-113121388-A Cinacalcet intermediate and synthetic method of cinacalcet hydrochloride 2021-03-29
CN-113121388-B Cinacalcet intermediate and synthetic method of cinacalcet hydrochloride 2021-03-29
CN-111662220-A Pleuromutilin compounds for treating novel bacterial infectious diseases secondary to coronavirus pneumonia 2020-04-20
KR-20210093155-A Novel compound, preparation method thereof, and use thereof 2020-01-17
WO-2021145729-A1 Novel compound, preparation method thereof, and use thereof 2020-01-17
WO-2021127586-A1 Protein tyrosine phosphatase degraders and methods of use thereof 2019-12-20
WO-2021071802-A1 Aryl heterocyclic compounds as kv1.3 potassium shaker channel blockers 2019-10-07
US-2020339816-A1 Water-soluble polynorbornene dyes having pendant chromophores 2019-04-29
WO-2020222894-A1 Water-soluble polynorbornene dyes having pendant chromophores 2019-04-29
US-2022043341-A1 Imprint lithography stamp method of making and using the same 2018-10-09
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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