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Molecule
N-[3-(Dimethylamino)Propyl]Acrylamide
CAS: 3845-76-9 · C8H16N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3845-76-9
- Molecular Formula
- C8H16N2O
- Molecular Mass
- 156.23 g/mol
Identifiers
CAS Registry Number
3845-76-9
SMILES
C=CC(O)=NCCCN(C)C
InChI Key
ADTJPOBHAXXXFS-UHFFFAOYSA-N
InChI
InChI=1S/C8H16N2O/c1-4-8(11)9-6-5-7-10(2)3/h4H,1,5-7H2,2-3H3,(H,9,11)
Names and Synonyms
- N-[3-(Dimethylamino)Propyl]Acrylamide Synonym
- 2-Propenamide, N-[3-(dimethylamino)propyl]- Synonym
- Acrylamide, N-[3-(dimethylamino)propyl]- Synonym
- N-[3-(Dimethylamino)propyl]-2-propenamide Synonym
- 3-(N,N-Dimethylaminopropyl)acrylamide Synonym
- N-[3-(Dimethylamino)propyl]acrylamide Synonym
- Dimethyl(3-acrylamidopropyl)amine Synonym
- Acrylamidopropyldimethylamine Synonym
- [3-(Acryloylamino)propyl]dimethylamine Synonym
- Acrylamido-3-N,N-dimethylpropylamine Synonym
- DMAPAA Synonym
- N-[3-(N,N-Dimethylamino)propyl]acrylamide Synonym
- DMAPAA-MHQ Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.23 g/mol | CAS Common Chemistry |
| 156.229 g/mol | RDKit | |
| Canonical SMILES | O=C(C=C)NCCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H16N2O/c1-4-8(11)9-6-5-7-10(2)3/h4H,1,5-7H2,2-3H3,(H,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=ADTJPOBHAXXXFS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[3-(Dimethylamino)propyl]acrylamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.830000000000005 Ų | RDKit |
| 35.83 Ų | RDKit | |
| 35.6 Ų | chempirical lib | |
| LogP | 1.0806 | RDKit |
| Molar Refractivity | 48.29880000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 156.126263132 g/mol | RDKit |
| Boiling Point | 106-108 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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.
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MW = 156.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H16N2O.
