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Molecule
Tetracaine Hydrochloride
CAS: 136-47-0 · C15H25ClN2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 136-47-0
- Molecular Formula
- C15H25ClN2O2
- Molecular Mass
- 300.83 g/mol
Identifiers
CAS Registry Number
136-47-0
SMILES
CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl
InChI Key
PPWHTZKZQNXVAE-UHFFFAOYSA-N
InChI
InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H
Names and Synonyms
- Tetracaine Hydrochloride Common Name
- Benzoic acid, 4-(butylamino)-, 2-(dimethylamino)ethyl ester, hydrochloride (1:1) Synonym
- Benzoic acid, p-(butylamino)-, 2-(dimethylamino)ethyl ester, monohydrochloride Synonym
- Benzoic acid, 4-(butylamino)-, 2-(dimethylamino)ethyl ester, monohydrochloride Synonym
- Ethanol, 2-dimethylamino-, p-butylaminobenzoate, HCl Synonym
- Amethocaine monohydrochloride Synonym
- Anacel Synonym
- Anethaine Synonym
- Butethanol Synonym
- Curtacain Synonym
- Decicain Synonym
- Decicaine Synonym
- Dicaine Synonym
- 2-Dimethylaminoethanol 4-n-butylaminobenzoate hydrochloride Synonym
- 2-(Dimethylamino)ethyl p-(butylamino)benzoate hydrochloride Synonym
- Menonasal Synonym
- Pantocaine monohydrochloride Synonym
- Tetracaine monohydrochloride Synonym
- Tonexol Synonym
- Tetracainium chloride Synonym
- Tetracaine hydrochloride Synonym
- Amethocaine hydrochloride Synonym
- Dikain Synonym
- Pantocain Synonym
- Anethain Synonym
- Dessicain Synonym
- Pontocaine hydrochloride Synonym
- Pantocaine Synonym
- Pantocaine hydrochloride Synonym
- Intercaine Synonym
- Niphanoid Synonym
- p-(Butylamino)benzoic acid 2-(dimethylamino)ethyl ester hydrochloride Synonym
- Leocaine Synonym
- Tetocaine Synonym
- Tetracaine chlorhydrate Synonym
- Dianguang Synonym
- TetraVisc Synonym
- Lining Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 300.83 g/mol | CAS Common Chemistry |
| 300.82999999999987 g/mol | RDKit | |
| 300.827 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(OCCN(C)C)C1=CC=C(C=C1)NCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=PPWHTZKZQNXVAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 147 °C | CAS Common Chemistry |
| Name | Tetracaine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.57 Ų | RDKit |
| 41.34 Ų | chempirical lib | |
| LogP | 3.0388000000000024 | RDKit |
| 3.0388 | RDKit | |
| Molar Refractivity | 85.92420000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5333 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 300.16045572 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 300.83 g/mol. Edit any field — others recompute live.
