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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 Weight:
178.235 g/mol
Names and Synonyms:
N,N-Diethylnicotinamide
Niketamine
Nikethyl
Canfodiamina
Corvin
Percoral
Sancora
Cormotyl
Kordiamin
Coramine (pharmaceutical)
Cardiamide
Niketamide
Ni-Cor
Diethylnicotinamide
Ventramine
Stimulin
Solyacord
Salvacard
Rehormin
Reformin
Pyridine-3-carboxylic acid diethylamide
Pyridine-3-carboxydiethylamide
Pyricardyl
Nikorin
Niketharol
Nikethamide
Nikardin
Nicotinic acid diethylamide
Nicorine
Nicethamide
Nicetamide
Nicamide
Niamine
Eucoran
Dynacoryl
N,N-Diethylnicotinamide
Corvotone
Corvitol
Cornotone
Cormid
Cormed
Corediol
Cordiamine
Cordiamin
Coracon
Cardimon
Cardiamine
Cardiamid
Cardamine
Carbamidal
Astrocar
Anacordone
Anacardone
N,N-Diethyl-3-pyridinecarboxamide
Nicotinamide, N,N-diethyl-
3-Pyridinecarboxamide, N,N-diethyl-
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 178.23 g/mol | Legacy Database |
| cas-boiling-point | 298 °C None | Legacy Database |
| cas-canonical-smile | O=C(C=1C=NC=CC1)N(CC)CC None | Legacy Database |
| cas-inchi | InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=NCYVXEGFNDZQCU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 25 °C None | Legacy Database |
| cas-name | N,N-Diethylnicotinamide None | Legacy Database |
| LogP | 1.5636 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 178.235 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 178.110613068 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 13 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 33.2 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 51.48850000000004 | RDKit |
