Back to Search
N-(Phenylmethylene)Methanamine
CAS: 622-29-7 | C8H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
622-29-7
Molecular Formula:
C8H9N
Molecular Weight:
119.16699999999996 g/mol
Names and Synonyms:
N-(Phenylmethylene)Methanamine
Methanamine, N-(phenylmethylene)-
Methylamine, N-benzylidene-
Benzaldehyde, N-methyloxime
N-(Phenylmethylene)methanamine
Benzylidenemethylamine
Benzylidenemethanamine
N-Methylbenzaldimine
N-Methylbenzalimine
N-Methylbenzylidenimine
N-Benzylidenemethylamine
N-Methylbenzenemethanimine
Benzaldehyde N-methylimine
N-Benzylidenemethanamine
Benzalmethylamine
Benzaldehyde methylimine
N-Methylbenzylidenamine
N-Methylphenylmethanimine
NSC 69423
Identifiers:
SMILES:
CN=Cc1ccccc1
InChI:
InChI=1S/C8H9N/c1-9-7-8-5-3-2-4-6-8/h2-7H,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 | 119.16699999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 119.073499288 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.36 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.7353 | RDKit |
| molecular_mass | 119.17 g/mol | Legacy Database |
| density | 0.96 g/cm³ | Legacy Database |
| cas-boiling-point | 185 °C None | Legacy Database |
| cas-canonical-smile | N(=CC=1C=CC=CC1)C None | Legacy Database |
| cas-density | 0.962 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H9N/c1-9-7-8-5-3-2-4-6-8/h2-7H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HXTGGPKOEKKUQO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 185 °C None | Legacy Database |
| cas-name | N-(Phenylmethylene)methanamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.96000000000002 | RDKit |
