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Molecule
Tropicamide
CAS: 1508-75-4 · C17H20N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1508-75-4
- Molecular Formula
- C17H20N2O2
- Molecular Mass
- 284.36 g/mol
Identifiers
CAS Registry Number
1508-75-4
SMILES
CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1
InChI Key
BGDKAVGWHJFAGW-UHFFFAOYSA-N
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
Names and Synonyms
- Tropicamide Common Name
- Benzeneacetamide, N-ethyl-α-(hydroxymethyl)-N-(4-pyridinylmethyl)- Synonym
- Hydracrylamide, N-ethyl-2-phenyl-N-(4-pyridylmethyl)- Synonym
- N-Ethyl-α-(hydroxymethyl)-N-(4-pyridinylmethyl)benzeneacetamide Synonym
- N-Ethyl-2-phenyl-N-(4-pyridylmethyl)hydracrylamide Synonym
- N-Ethyl-N-(γ-picolyl)tropamide Synonym
- Tropic acid-N-ethyl-N-(γ-picolyl)amide Synonym
- Bistropamide Synonym
- Mydriacyl Synonym
- Tropicamide Synonym
- Epitromina Synonym
- Mydriat Synonym
- Mydrin Synonym
- Mydrum Synonym
- Ro 1-7683 Synonym
- Visumidriatic Synonym
- (±)-Tropicamide Synonym
- Mydrapid Synonym
- Mydriaticum Synonym
- Mydrin M Synonym
- Mydrin P Synonym
- Minims Synonym
- Mydril Synonym
- Mydramide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.36 g/mol | CAS Common Chemistry |
| 284.359 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 |
| 53.43 Ų | RDKit | |
| 52.67 Ų | chempirical lib | |
| LogP | 2.2062 | RDKit |
| Molar Refractivity | 81.59680000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 284.15247788 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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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.
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MW = 284.36 g/mol. Edit any field — others recompute live.
