N-TERT-OCTYLACRYLAMIDE

Inquiry

Molecular Formula:

C11H21NO

Molecular Weight:

183.29

CAS Number:

4223-03-4

Catalog Number:

4223-03-4

Product Information

Molecular Formula:

C11H21NO

Molecular Weight:

183.29

Description

Hydrophobic acrylamide derivative.

Synonyms

TERTIARY-OCTYL ACRYLAMIDE; N-TERT-OCTYLACRYLAMIDE; T-OCTYLACRYLAMIDE; TOA; 2-Propenamide,N-(1,1,3,3-tetramethylbutyl)-; Acrylamide, N-(1,1,3,3-tetramethylbutyl)-

IUPAC Name

N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide

Canonical SMILES

CC(C)(C)CC(C)(C)NC(=O)C=C

InChI

InChI=1S/C11H21NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3,(H,12,13)

InChI Key

YRDNVESFWXDNSI-UHFFFAOYSA-N

Boiling Point

301.5°C at 760mmHg

Melting Point

63-64°C

Purity

95%

Density

0.867g/cm3

Appearance

White to Orange to Green powder to lump

Storage

0-10°C

Safety Information

Hazards

H302:
Harmful if swallowed.

Precautionary Statement

P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

2.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

183.162314293 g/mol

Monoisotopic Mass

183.162314293 g/mol

Topological Polar Surface Area

29.1Å²

Heavy Atom Count

Formal Charge

Complexity

199

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

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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N-TERT-OCTYLACRYLAMIDE

Product Information

Safety Information

Computed Properties

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