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Molecule
N-(Butoxymethyl)Acrylamide
CAS: 1852-16-0 · C8H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1852-16-0
- Molecular Formula
- C8H15NO2
- Molecular Mass
- 157.21 g/mol
Identifiers
CAS Registry Number
1852-16-0
SMILES
C=CC(O)=NCOCCCC
InChI Key
UTSYWKJYFPPRAP-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO2/c1-3-5-6-11-7-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10)
Names and Synonyms
- N-(Butoxymethyl)Acrylamide Common Name
- 2-Propenamide, N-(butoxymethyl)- Synonym
- Acrylamide, N-(butoxymethyl)- Synonym
- N-(Butoxymethyl)-2-propenamide Synonym
- N-(Butoxymethyl)acrylamide Synonym
- NBM Synonym
- Wasmer BMA Synonym
- Wasmer NBM Synonym
- Cylink NBMA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.21 g/mol | CAS Common Chemistry |
| 157.21299999999997 g/mol | RDKit | |
| 157.213 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9693 g/cm3 @ 25 °C | 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 |
| 41.82 Ų | RDKit | |
| LogP | 1.9031 | RDKit |
| 1.77 | chempirical lib | |
| Molar Refractivity | 45.98780000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 157.11027872 g/mol | RDKit |
| Boiling Point | 110-112 °C @ 0.03 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 157.21 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H15NO2.
