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Tetracaine Hydrochloride
CAS: 136-47-0 | C15H25ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
136-47-0
Molecular Formula:
C15H25ClN2O2
Molecular Mass:
300.83 g/mol
Names and Synonyms:
Tetracaine Hydrochloride
Benzoic acid, 4-(butylamino)-, 2-(dimethylamino)ethyl ester, hydrochloride (1:1)
Benzoic acid, p-(butylamino)-, 2-(dimethylamino)ethyl ester, monohydrochloride
Benzoic acid, 4-(butylamino)-, 2-(dimethylamino)ethyl ester, monohydrochloride
Ethanol, 2-dimethylamino-, p-butylaminobenzoate, HCl
Amethocaine monohydrochloride
Anacel
Anethaine
Butethanol
Curtacain
Decicain
Decicaine
Dicaine
2-Dimethylaminoethanol 4-n-butylaminobenzoate hydrochloride
2-(Dimethylamino)ethyl p-(butylamino)benzoate hydrochloride
Menonasal
Pantocaine monohydrochloride
Tetracaine monohydrochloride
Tonexol
Tetracainium chloride
Tetracaine hydrochloride
Amethocaine hydrochloride
Dikain
Pantocain
Anethain
Dessicain
Pontocaine hydrochloride
Pantocaine
Pantocaine hydrochloride
Intercaine
Niphanoid
p-(Butylamino)benzoic acid 2-(dimethylamino)ethyl ester hydrochloride
Leocaine
Tetocaine
Tetracaine chlorhydrate
Dianguang
TetraVisc
Lining
Identifiers:
SMILES:
CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl
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
Key Properties
Melting Point
147 °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 | 300.83 g/mol | CAS Common Chemistry |
| 300.82999999999987 g/mol | RDKit | |
| 300.16045572 g/mol | RDKit | |
| 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 |
| LogP | 3.0388000000000024 | RDKit |
| Molar Refractivity | 85.92420000000004 | RDKit |
