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Molecule
(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
Identifiers
CAS Registry Number
17279-31-1
SMILES
C[C@@H](c1ccccc1)N(C)C
InChI Key
BVURNMLGDQYNAF-VIFPVBQESA-N
InChI
InChI=1S/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3/t9-/m0/s1
Names and Synonyms
- (Αs)-N,N,Α-Trimethylbenzenemethanamine Synonym
- Benzenemethanamine, N,N,α-trimethyl-, (αS)- Synonym
- Benzylamine, N,N,α-trimethyl-, (S)-(-)- Synonym
- Benzenemethanamine, N,N,α-trimethyl-, (S)- Synonym
- (αS)-N,N,α-Trimethylbenzenemethanamine Synonym
- S-(-)-N,N-Dimethyl-1-phenylethylamine Synonym
- (S)-N,N,α-Trimethylbenzenemethanamine Synonym
- (S)-N,N-Dimethyl-1-phenylethylamine Synonym
- (S)-[1-(Dimethylamino)ethyl]benzene Synonym
- Dimethyl((S)-1-phenylethyl)amine Synonym
- (1S)-N,N-Dimethyl-1-phenylethanamine Synonym
- (-)-(S)-N,N-Dimethyl-1-phenylethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.24 g/mol | CAS Common Chemistry |
| 149.23699999999997 g/mol | RDKit | |
| 149.237 g/mol | RDKit | |
| 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 2.3092000000000006 | RDKit |
| 2.3092 | RDKit | |
| 2.47 | chempirical lib | |
| Molar Refractivity | 48.54400000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 149.12044948 g/mol | RDKit |
| Boiling Point | 62 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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.
External Resources
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MW = 149.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15N.
