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(Αs)-N,N,Α-Trimethylbenzenemethanamine
CAS: 17279-31-1 | C10H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17279-31-1
Molecular Formula:
C10H15N
Molecular Mass:
149.24 g/mol
Names and Synonyms:
(Αs)-N,N,Α-Trimethylbenzenemethanamine
Benzenemethanamine, N,N,α-trimethyl-, (αS)-
Benzylamine, N,N,α-trimethyl-, (S)-(-)-
Benzenemethanamine, N,N,α-trimethyl-, (S)-
(αS)-N,N,α-Trimethylbenzenemethanamine
S-(-)-N,N-Dimethyl-1-phenylethylamine
(S)-N,N,α-Trimethylbenzenemethanamine
(S)-N,N-Dimethyl-1-phenylethylamine
(S)-[1-(Dimethylamino)ethyl]benzene
Dimethyl((S)-1-phenylethyl)amine
(1S)-N,N-Dimethyl-1-phenylethanamine
(-)-(S)-N,N-Dimethyl-1-phenylethylamine
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-/m0/s1
Key Properties
Boiling Point
62 °C @ Press: 11 Torr
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
60
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 | |
| Boiling Point | 62 °C @ Press: 11 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-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BVURNMLGDQYNAF-VIFPVBQESA-N | CAS Common Chemistry |
| Name | (αS)-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 |
