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Molecule
N-Methylbenzylamine
CAS: 103-67-3 · C8H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 103-67-3
- Molecular Formula
- C8H11N
- Molecular Mass
- 121.18 g/mol
Identifiers
CAS Registry Number
103-67-3
SMILES
CNCc1ccccc1
InChI Key
RIWRFSMVIUAEBX-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
Names and Synonyms
- N-Methylbenzylamine Synonym
- Benzenemethanamine, N-methyl- Synonym
- Benzylamine, N-methyl- Synonym
- N-Methylbenzenemethanamine Synonym
- N-Benzylmethylamine Synonym
- N-Methylbenzylamine Synonym
- Benzylmethylamine Synonym
- N-Benzyl-N-methylamine Synonym
- N-(Phenylmethyl)methylamine Synonym
- N-Methyl-N-benzylamine Synonym
- N-Methyl-N-(phenylmethyl)amine Synonym
- NSC 8059 Synonym
- N-Methyl-1-phenylmethanamine Synonym
- N-Benzylmethanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 121.18 g/mol | CAS Common Chemistry |
| 121.18299999999995 g/mol | RDKit | |
| 121.183 g/mol | RDKit | |
| Boiling Point | 180.5 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RIWRFSMVIUAEBX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 59.60 °C | CAS Common Chemistry |
| Name | N-Methylbenzylamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.406 | RDKit |
| Molar Refractivity | 39.205700000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 121.08914935199999 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
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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
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MW = 121.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11N.
