Back to Search
Molecule
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
Identifiers
CAS Registry Number
622-29-7
SMILES
CN=Cc1ccccc1
InChI Key
HXTGGPKOEKKUQO-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N/c1-9-7-8-5-3-2-4-6-8/h2-7H,1H3
Names and Synonyms
- N-(Phenylmethylene)Methanamine Synonym
- Methanamine, N-(phenylmethylene)- Synonym
- Methylamine, N-benzylidene- Synonym
- Benzaldehyde, N-methyloxime Synonym
- N-(Phenylmethylene)methanamine Synonym
- Benzylidenemethylamine Synonym
- Benzylidenemethanamine Synonym
- N-Methylbenzaldimine Synonym
- N-Methylbenzalimine Synonym
- N-Methylbenzylidenimine Synonym
- N-Benzylidenemethylamine Synonym
- N-Methylbenzenemethanimine Synonym
- Benzaldehyde N-methylimine Synonym
- N-Benzylidenemethanamine Synonym
- Benzalmethylamine Synonym
- Benzaldehyde methylimine Synonym
- N-Methylbenzylidenamine Synonym
- N-Methylphenylmethanimine Synonym
- NSC 69423 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 119.17 g/mol | CAS Common Chemistry |
| 119.16699999999996 g/mol | RDKit | |
| 119.167 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.962 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 119.073499288 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 119.17 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9N.
