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Tropicamide
CAS: 1508-75-4 | C17H20N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1508-75-4
Molecular Formula:
C17H20N2O2
Molecular Mass:
284.36 g/mol
Names and Synonyms:
Tropicamide
Benzeneacetamide, N-ethyl-α-(hydroxymethyl)-N-(4-pyridinylmethyl)-
Hydracrylamide, N-ethyl-2-phenyl-N-(4-pyridylmethyl)-
N-Ethyl-α-(hydroxymethyl)-N-(4-pyridinylmethyl)benzeneacetamide
N-Ethyl-2-phenyl-N-(4-pyridylmethyl)hydracrylamide
N-Ethyl-N-(γ-picolyl)tropamide
Tropic acid-N-ethyl-N-(γ-picolyl)amide
Bistropamide
Mydriacyl
Tropicamide
Epitromina
Mydriat
Mydrin
Mydrum
Ro 1-7683
Visumidriatic
(±)-Tropicamide
Mydrapid
Mydriaticum
Mydrin M
Mydrin P
Minims
Mydril
Mydramide
Identifiers:
SMILES:
CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1
InChI:
InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
Key Properties
Melting Point
96.5 °C
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 | 284.36 g/mol | CAS Common Chemistry |
| 284.359 g/mol | RDKit | |
| 284.15247788 g/mol | RDKit | |
| Canonical SMILES | O=C(N(CC=1C=CN=CC1)CC)C(C=2C=CC=CC2)CO | CAS Common Chemistry |
| InChI | InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BGDKAVGWHJFAGW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96.5 °C | CAS Common Chemistry |
| Name | Tropicamide | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 53.43000000000001 Ų | RDKit |
| LogP | 2.2062 | RDKit |
| Molar Refractivity | 81.59680000000004 | RDKit |
