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Molecule
N,N,3,5-Tetramethylaniline
CAS: 4913-13-7 · C10H15N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4913-13-7
- Molecular Formula
- C10H15N
- Molecular Mass
- 149.24 g/mol
Identifiers
CAS Registry Number
4913-13-7
SMILES
Cc1cc(C)cc(N(C)C)c1
InChI Key
NBFRQCOZERNGEX-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7H,1-4H3
Names and Synonyms
- N,N,3,5-Tetramethylaniline Systematic Name
- Benzenamine, N,N,3,5-tetramethyl- Synonym
- 3,5-Xylidine, N,N-dimethyl- Synonym
- N,N,3,5-Tetramethylbenzenamine Synonym
- N,N,3,5-Tetramethylaniline Synonym
- 3,5-Dimethyl-N,N-dimethylaniline Synonym
- 3,5,N,N-Tetramethylaniline Synonym
- (3,5-Dimethylphenyl)dimethylamine Synonym
- D 7924 Synonym
- N,N-Dimethyl-3,5-xylidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.24 g/mol | CAS Common Chemistry |
| 149.237 g/mol | RDKit | |
| Canonical SMILES | C=1C(=CC(=CC1C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NBFRQCOZERNGEX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N,3,5-Tetramethylaniline | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 2.36944 | RDKit |
| 2.3694 | RDKit | |
| 2.47 | chempirical lib | |
| Molar Refractivity | 50.24300000000003 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 | 101-103 °C @ 18 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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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.
