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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 Mass:
119.17 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
Key Properties
Boiling Point
185 °C
CAS Common Chemistry
Melting Point
185 °C
CAS Common Chemistry
Density
0.96 g/cm³
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 | 119.17 g/mol | CAS Common Chemistry |
| 119.16699999999996 g/mol | RDKit | |
| 119.073499288 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.962 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 185 °C | CAS Common Chemistry |
| Canonical SMILES | N(=CC=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9N/c1-9-7-8-5-3-2-4-6-8/h2-7H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HXTGGPKOEKKUQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185 °C | CAS Common Chemistry |
| Name | N-(Phenylmethylene)methanamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.36 Ų | RDKit |
| LogP | 1.7353 | RDKit |
| Molar Refractivity | 39.96000000000002 | RDKit |
