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N-Methyl-Γ-Phenylbenzenepropanamine
CAS: 28075-29-8 | C16H19N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
28075-29-8
Molecular Formula:
C16H19N
Molecular Mass:
225.33 g/mol
Names and Synonyms:
N-Methyl-Γ-Phenylbenzenepropanamine
Benzenepropanamine, N-methyl-γ-phenyl-
Propylamine, N-methyl-3,3-diphenyl-
N-Methyl-γ-phenylbenzenepropanamine
N-Methyl-3,3-diphenylpropylamine
(3,3-Diphenylpropyl)methylamine
Identifiers:
SMILES:
CNCCC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C16H19N/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
Key Properties
Boiling Point
178 °C @ Press: 10 Torr
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 | 225.33 g/mol | CAS Common Chemistry |
| 225.335 g/mol | RDKit | |
| 225.151749608 g/mol | RDKit | |
| Boiling Point | 178 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C(C=2C=CC=CC2)CCNC | CAS Common Chemistry |
| InChI | InChI=1S/C16H19N/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AKEGHAUFMKCWGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyl-γ-phenylbenzenepropanamine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 3.4280000000000026 | RDKit |
| Molar Refractivity | 73.27070000000005 | RDKit |
