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(R)-(+)-N-Methyl-1-Phenylethylamine
CAS: 5933-40-4 | C9H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5933-40-4
Molecular Formula:
C9H13N
Molecular Weight:
135.20999999999998 g/mol
Names and Synonyms:
(R)-(+)-N-Methyl-1-Phenylethylamine
R-(+)-N,α-Dimethylbenzylamine
D-(+)-N-Methyl-N-(α-phenylethyl)amine
Benzenemethanamine, N,α-dimethyl-, (αR)-
Benzenemethanamine, N,α-dimethyl-, (R)-
Benzylamine, N,α-dimethyl-, (R)-(+)-
(αR)-N,α-Dimethylbenzenemethanamine
(R)-N-Methyl-1-phenylethylamine
(R)-(+)-N-Methyl-1-phenylethylamine
N-Methyl-N-((1R)-1-phenylethyl)amine
(1R)-N-Methyl-1-phenylethylamine
N-Methyl-(R)-α-methylbenzylamine
(R)-N-Methyl-N-(α-methylbenzyl)amine
(R)-N-Methyl-α-methylbenzylamine
(R)-N-Methyl-1-phenylethanamine
(R)-N-Methyl-α-methylbenzenemethanamine
Methyl-((R)-1-phenylethyl)amine
(R)-N-Methyl-α-methylbenzylamine
(R)-N-Methyl-1-phenylethylamine
(R)-N-Methyl-1-phenylethan-1-amine
(1R)-N-Methyl-1-phenylethanamine
(R)-N-Methyl-1-phenylethanamine
Identifiers:
SMILES:
CN[C@H](C)c1ccccc1
InChI:
InChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m1/s1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 135.21 g/mol | Legacy Database |
| cas-boiling-point | 83 °C @ Press: 12 Torr None | Legacy Database |
| cas-canonical-smile | C=1C=CC(=CC1)C(NC)C None | Legacy Database |
| cas-inchi | InChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=RCSSHZGQHHEHPZ-MRVPVSSYSA-N None | Legacy Database |
| cas-name | (R)-(+)-N-Methyl-1-phenylethylamine None | Legacy Database |
| LogP | 1.9669999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 135.20999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 135.104799416 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.03 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.91670000000003 | RDKit |
