N-tert-Octylacrylamide
| Catalog Number | Size | Price | Stock | Quantity |
|---|---|---|---|---|
| BPM-117611 | 1 kg | $749 | In stock |
Product Information
Molecular Formula
C11H21NO
Molecular Weight
183.29
Description
Hydrophobic acrylamide derivative.
Synonyms
tert-Octylacrylamide; N-(1,1,3,3-Tetramethylbutyl)acrylamide; 2-Propenamide, N-(1,1,3,3-tetramethylbutyl)-; N-(1,1,3,3-Tetramethylbutyl)-2-propenamide
IUPAC Name
N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
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
289.6±13.0 °C (Predicted)
Melting Point
63-64°C
Purity
98%
Density
0.867±0.06 g/cm3 (Predicted)
Solubility
Soluble in Methanol
Appearance
White to Orange to Green Powder
Storage
Store at 2-8 °C
Safety Information
Hazards
H302:
Harmful if swallowed.
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.
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
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Exact Mass
183.162314293 g/mol
Monoisotopic Mass
183.162314293 g/mol
Topological Polar Surface Area
29.1Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
199
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
