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(Αr)-N,N,Α-Trimethylbenzenemethanamine
CAS: 19342-01-9 | C10H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19342-01-9
Molecular Formula:
C10H15N
Molecular Mass:
149.24 g/mol
Names and Synonyms:
(Αr)-N,N,Α-Trimethylbenzenemethanamine
(R)-α-Methylbenzyldimethylamine
(R)-N,N-Dimethyl-1-phenylethylamine
(R)-Dimethyl(1-phenylethyl)amine
(R)-[1-(Dimethylamino)ethyl]benzene
(R)-(+)-N,N-Dimethyl-1-phenylethylamine
(1R)-N,N-Dimethyl-1-phenylethanamine
Benzenemethanamine, N,N,α-trimethyl-, (αR)-
Benzylamine, N,N,α-trimethyl-, L-(+)-
Benzenemethanamine, N,N,α-trimethyl-, (R)-
(αR)-N,N,α-Trimethylbenzenemethanamine
(R)-(+)-N,N-Dimethyl-1-phenylethylamine
(+)-N,N-Dimethyl-α-methylbenzylamine
(+)-(R)-N,N-Dimethyl-α-phenylethylamine
(+)-N,N,α-Trimethylbenzylamine
Identifiers:
SMILES:
C[C@H](c1ccccc1)N(C)C
InChI:
InChI=1S/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3/t9-/m1/s1
Key Properties
Boiling Point
78-78.5 °C @ Press: 15 Torr
CAS Common Chemistry
Density
0.90 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 | 149.24 g/mol | CAS Common Chemistry |
| 149.23699999999997 g/mol | RDKit | |
| 149.12044948 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9027 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 78-78.5 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C(N(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3/t9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BVURNMLGDQYNAF-SECBINFHSA-N | CAS Common Chemistry |
| Name | (αR)-N,N,α-Trimethylbenzenemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 2.3092000000000006 | RDKit |
| Molar Refractivity | 48.54400000000003 | RDKit |
