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N,N-Diethylnicotinamide
CAS: 59-26-7 | C10H14N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
59-26-7
Molecular Formula:
C10H14N2O
Molecular Mass:
178.23 g/mol
Names and Synonyms:
N,N-Diethylnicotinamide
3-Pyridinecarboxamide, N,N-diethyl-
Nicotinamide, N,N-diethyl-
N,N-Diethyl-3-pyridinecarboxamide
Anacardone
Anacordone
Astrocar
Carbamidal
Cardamine
Cardiamid
Cardiamine
Cardimon
Coracon
Cordiamin
Cordiamine
Corediol
Cormed
Cormid
Cornotone
Corvitol
Corvotone
N,N-Diethylnicotinamide
Dynacoryl
Eucoran
Niamine
Nicamide
Nicetamide
Nicethamide
Nicorine
Nicotinic acid diethylamide
Nikardin
Nikethamide
Niketharol
Nikorin
Pyricardyl
Pyridine-3-carboxydiethylamide
Pyridine-3-carboxylic acid diethylamide
Reformin
Rehormin
Salvacard
Solyacord
Stimulin
Ventramine
Diethylnicotinamide
Ni-Cor
Niketamide
Cardiamide
Coramine (pharmaceutical)
Kordiamin
Cormotyl
Sancora
Percoral
Corvin
Canfodiamina
Nikethyl
Niketamine
Coramine
Niquetamide
3-(N,N-Diethylcarbamoyl)pyridine
Ecoran
Coractiv N
NSC 130820
NSC 169863
NSC 62103
Identifiers:
SMILES:
CCN(CC)C(=O)c1cccnc1
InChI:
InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
Key Properties
Boiling Point
298 °C
CAS Common Chemistry
Melting Point
25 °C
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 | 178.23 g/mol | CAS Common Chemistry |
| 178.235 g/mol | RDKit | |
| 178.110613068 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 |
| LogP | 1.5636 | RDKit |
| Molar Refractivity | 51.48850000000004 | RDKit |
