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Molecule
Pramoxine Hydrochloride
CAS: 637-58-1 · C17H28ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 637-58-1
- Molecular Formula
- C17H28ClNO3
- Molecular Mass
- 329.87 g/mol
Identifiers
CAS Registry Number
637-58-1
SMILES
CCCCOc1ccc(OCCCN2CCOCC2)cc1.Cl
InChI Key
SYCBXBCPLUFJID-UHFFFAOYSA-N
InChI
InChI=1S/C17H27NO3.ClH/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18;/h5-8H,2-4,9-15H2,1H3;1H
Names and Synonyms
- Pramoxine Hydrochloride Common Name
- Morpholine, 4-[3-(4-butoxyphenoxy)propyl]-, hydrochloride (1:1) Synonym
- Morpholine, 4-[3-(p-butoxyphenoxy)propyl]-, hydrochloride Synonym
- Pramoxine hydrochloride Synonym
- Morpholine, 4-[3-(4-butoxyphenoxy)propyl]-, hydrochloride Synonym
- 4-[3-(p-Butoxyphenoxy)propyl]morpholine hydrochloride Synonym
- Tronothane hydrochloride Synonym
- Pramocaine hydrochloride Synonym
- Proctofoam Synonym
- Tronothan Synonym
- Tronothane Synonym
- Tronolaine Synonym
- Pramacort Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 329.87 g/mol | CAS Common Chemistry |
| 329.8679999999999 g/mol | RDKit | |
| 329.868 g/mol | RDKit | |
| 329.865 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O(C1=CC=C(OCCCC)C=C1)CCCN2CCOCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C17H27NO3.ClH/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18;/h5-8H,2-4,9-15H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=SYCBXBCPLUFJID-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 181-183 °C | CAS Common Chemistry |
| Name | Pramoxine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 30.930000000000003 Ų | RDKit |
| 30.93 Ų | RDKit | |
| 30.7 Ų | chempirical lib | |
| LogP | 3.388400000000003 | RDKit |
| 3.3884 | RDKit | |
| Molar Refractivity | 91.46400000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6471 | RDKit |
| 0.65 | chempirical lib | |
| Exact Mass | 329.175771436 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 329.87 g/mol. Edit any field — others recompute live.
