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N-Benzyl-N-Methylaniline
CAS: 614-30-2 | C14H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
614-30-2
Molecular Formula:
C14H15N
Molecular Mass:
197.28 g/mol
Names and Synonyms:
N-Benzyl-N-Methylaniline
Benzenemethanamine, N-methyl-N-phenyl-
Benzylamine, N-methyl-N-phenyl-
N-Methyl-N-phenylbenzenemethanamine
N-Methyl-N-phenylbenzylamine
N-Methyl-N-benzylaniline
N-Benzyl-N-methylaniline
N-Benzyl-N-methylphenylamine
N-Benzyl-N-methyl-N-phenylamine
NSC 97
N-Benzyl-N-methylbenzenamine
N-Methyl-N-benzylphenylamine
Identifiers:
SMILES:
CN(Cc1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H15N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
Key Properties
Boiling Point
187-188 °C @ Press: 26 Torr
CAS Common Chemistry
Density
1.04 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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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 | 197.28 g/mol | CAS Common Chemistry |
| 197.28099999999998 g/mol | RDKit | |
| 197.12044948 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0422 g/cm3 @ Temp: 26.5 °C | CAS Common Chemistry | |
| Boiling Point | 187-188 °C @ Press: 26 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)N(C)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H15N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LXZGVFCKZRHKMU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Benzyl-N-methylaniline | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 3.323000000000002 | RDKit |
| Molar Refractivity | 64.99100000000004 | RDKit |
