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Molecule
N,N-Diethylnicotinamide
CAS: 59-26-7 · C10H14N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 59-26-7
- Molecular Formula
- C10H14N2O
- Molecular Mass
- 178.23 g/mol
Identifiers
CAS Registry Number
59-26-7
SMILES
CCN(CC)C(=O)c1cccnc1
InChI Key
NCYVXEGFNDZQCU-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
Names and Synonyms
- N,N-Diethylnicotinamide Systematic Name
- 3-Pyridinecarboxamide, N,N-diethyl- Synonym
- Nicotinamide, N,N-diethyl- Synonym
- N,N-Diethyl-3-pyridinecarboxamide Synonym
- Anacardone Synonym
- Anacordone Synonym
- Astrocar Synonym
- Carbamidal Synonym
- Cardamine Synonym
- Cardiamid Synonym
- Cardiamine Synonym
- Cardimon Synonym
- Coracon Synonym
- Cordiamin Synonym
- Cordiamine Synonym
- Corediol Synonym
- Cormed Synonym
- Cormid Synonym
- Cornotone Synonym
- Corvitol Synonym
- Corvotone Synonym
- N,N-Diethylnicotinamide Synonym
- Dynacoryl Synonym
- Eucoran Synonym
- Niamine Synonym
- Nicamide Synonym
- Nicetamide Synonym
- Nicethamide Synonym
- Nicorine Synonym
- Nicotinic acid diethylamide Synonym
- Nikardin Synonym
- Nikethamide Synonym
- Niketharol Synonym
- Nikorin Synonym
- Pyricardyl Synonym
- Pyridine-3-carboxydiethylamide Synonym
- Pyridine-3-carboxylic acid diethylamide Synonym
- Reformin Synonym
- Rehormin Synonym
- Salvacard Synonym
- Solyacord Synonym
- Stimulin Synonym
- Ventramine Synonym
- Diethylnicotinamide Synonym
- Ni-Cor Synonym
- Niketamide Synonym
- Cardiamide Synonym
- Coramine (pharmaceutical) Synonym
- Kordiamin Synonym
- Cormotyl Synonym
- Sancora Synonym
- Percoral Synonym
- Corvin Synonym
- Canfodiamina Synonym
- Nikethyl Synonym
- Niketamine Synonym
- Coramine Synonym
- Niquetamide Synonym
- 3-(N,N-Diethylcarbamoyl)pyridine Synonym
- Ecoran Synonym
- Coractiv N Synonym
- NSC 130820 Synonym
- NSC 169863 Synonym
- NSC 62103 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.23 g/mol | CAS Common Chemistry |
| 178.235 g/mol | RDKit | |
| Boiling Point | 298 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=NC=CC1)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NCYVXEGFNDZQCU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 25 °C | CAS Common Chemistry |
| Name | N,N-Diethylnicotinamide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 33.2 Ų | RDKit |
| 32.44 Ų | chempirical lib | |
| LogP | 1.5636 | RDKit |
| 1.58 | chempirical lib | |
| Molar Refractivity | 51.48850000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 178.110613068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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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MW = 178.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14N2O.
