Back to Search
Molecule
N-Methylphenethylamine
CAS: 589-08-2 · C9H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 589-08-2
- Molecular Formula
- C9H13N
- Molecular Mass
- 135.21 g/mol
Identifiers
CAS Registry Number
589-08-2
SMILES
CNCCc1ccccc1
InChI Key
SASNBVQSOZSTPD-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
Names and Synonyms
- N-Methylphenethylamine Common Name
- Benzeneethanamine, N-methyl- Synonym
- Phenethylamine, N-methyl- Synonym
- N-Methylbenzeneethanamine Synonym
- N-Methylphenethylamine Synonym
- N-Methyl-β-phenylethylamine Synonym
- N-Methyl-β-phenethylamine Synonym
- N-Methyl-N-(2-phenylethyl)amine Synonym
- N-Methyl-2-phenylethylamine Synonym
- N-(Phenylethyl)methylamine Synonym
- N-Methyl-2-phenethylamine Synonym
- N-Methyl-N-phenethylamine Synonym
- N-Phenethylmethylamine Synonym
- NSC 113957 Synonym
- (2-Phenylethyl)methylamine Synonym
- N-Methyl-2-phenylethanamine Synonym
- [2-(Methylamino)ethyl]benzene Synonym
- N-Phenethyl-N-methylamine Synonym
- N-Methyl-2-phenylethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.21 g/mol | CAS Common Chemistry |
| 135.20999999999998 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.934 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Methylphenethylamine | CAS Common Chemistry |
| Boiling Point | 206 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)CCNC | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SASNBVQSOZSTPD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methylbenzeneethanamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.4485 | RDKit |
| Molar Refractivity | 44.072700000000026 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 135.104799416 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 = 135.21 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13N.
