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N-(Butoxymethyl)Acrylamide
CAS: 1852-16-0 | C8H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1852-16-0
Molecular Formula:
C8H15NO2
Molecular Mass:
157.21 g/mol
Names and Synonyms:
N-(Butoxymethyl)Acrylamide
2-Propenamide, N-(butoxymethyl)-
Acrylamide, N-(butoxymethyl)-
N-(Butoxymethyl)-2-propenamide
N-(Butoxymethyl)acrylamide
NBM
Wasmer BMA
Wasmer NBM
Cylink NBMA
Identifiers:
SMILES:
C=CC(O)=NCOCCCC
InChI:
InChI=1S/C8H15NO2/c1-3-5-6-11-7-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10)
Key Properties
Boiling Point
110-112 °C @ Press: 0.03 Torr
CAS Common Chemistry
Melting Point
-9-6 °C
CAS Common Chemistry
Density
0.97 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.21 g/mol | CAS Common Chemistry |
| 157.21299999999997 g/mol | RDKit | |
| 157.11027872 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9693 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 110-112 °C @ Press: 0.03 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=C)NCOCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H15NO2/c1-3-5-6-11-7-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=UTSYWKJYFPPRAP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -9-6 °C | CAS Common Chemistry |
| Name | N-(Butoxymethyl)acrylamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.82000000000001 Ų | RDKit |
| LogP | 1.9031 | RDKit |
| Molar Refractivity | 45.98780000000002 | RDKit |
