Back to Search
Ethyl N-Phenylmethanimidate
CAS: 6780-49-0 | C9H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6780-49-0
Molecular Formula:
C9H11NO
Molecular Weight:
149.19299999999998 g/mol
Names and Synonyms:
Ethyl N-Phenylmethanimidate
Methanimidic acid, N-phenyl-, ethyl ester
Formimidic acid, N-phenyl-, ethyl ester
Ethyl N-phenylmethanimidate
Ethyl N-phenylformimidate
Ethyl isoformanilide
N-(Ethoxymethylene)aniline
N-Phenylformimidic acid ethyl ester
Identifiers:
SMILES:
CCOC=Nc1ccccc1
InChI:
InChI=1S/C9H11NO/c1-2-11-8-10-9-6-4-3-5-7-9/h3-8H,2H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.19299999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 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 | 21.59 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.3829000000000002 | RDKit |
| molecular_mass | 149.19 g/mol | Legacy Database |
| cas-boiling-point | 214 °C None | Legacy Database |
| cas-canonical-smile | N(=COCC)C=1C=CC=CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C9H11NO/c1-2-11-8-10-9-6-4-3-5-7-9/h3-8H,2H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DRDBNKYFCOLNQO-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ethyl N-phenylmethanimidate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 46.22000000000003 | RDKit |
