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Ethylbenzylaniline
CAS: 92-59-1 | C15H17N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
92-59-1
Molecular Formula:
C15H17N
Molecular Mass:
211.31 g/mol
Names and Synonyms:
Ethylbenzylaniline
Benzenemethanamine, N-ethyl-N-phenyl-
Benzylamine, N-ethyl-N-phenyl-
N-Ethyl-N-phenylbenzenemethanamine
N-Ethyl-N-benzylaniline
Phenylethylbenzylamine
N-Benzyl-N-ethylaniline
Benzylethylphenylamine
Ethylbenzylaniline
N-Ethyl-N-phenylbenzylamine
N-Benzyl-N-phenyl-N-ethylamine
NSC 1805
NSC 406962
Identifiers:
SMILES:
CCN(Cc1ccccc1)c1ccccc1
InChI:
InChI=1S/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
Key Properties
Boiling Point
287 °C @ Press: 710 Torr
CAS Common Chemistry
Melting Point
34 °C
CAS Common Chemistry
Density
1.03 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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 |
|---|
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 | 211.31 g/mol | CAS Common Chemistry |
| 211.308 g/mol | RDKit | |
| 211.136099544 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.034 g/cm3 @ Temp: 19 °C | CAS Common Chemistry | |
| Boiling Point | 287 °C @ Press: 710 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)N(CC=2C=CC=CC2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HSZCJVZRHXPCIA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 34 °C | CAS Common Chemistry |
| Name | Ethylbenzylaniline | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 3.7131000000000025 | RDKit |
| Molar Refractivity | 69.60800000000005 | RDKit |
