Tetracaine
Athanor · official
C15H24N2O2 · 264.36 g/mol
IUPAC name: 2-(dimethylamino)ethyl 4-(butylamino)benzoate
Also called Pontocaine, amethocaine, local anaesthetic
DangerToxic if swallowed · May cause an allergic skin reaction · Suspected of causing cancerNames and identifiers
- IUPAC name
- 2-(dimethylamino)ethyl 4-(butylamino)benzoate
- Synonyms
- Pontocaine, amethocaine, local anaesthetic
+ 37 more
Amethocaine, 2-(Dimethylamino)ethyl 4-(butylamino)benzoate, Laudocaine, Metraspray, Anetain, Dicaine, Uromucaesthin, Contralgin, Fissucain, Intercain, Medicaine, Meethobalm, Mucaesthin, Niphanoid, Medihaler-Tetracaine, Tetracaina, Tetrakain, Dicain, Dikain, Tetracainum, 2-(Dimethylamino)ethyl p-(butylamino)benzoate, p-Butylaminobenzoyl-2-dimethylaminoethanol, Benzoic acid, 4-(butylamino)-, 2-(dimethylamino)ethyl ester, Diaethylaminoaethanol ester der p-butylaminobenzoesaeure, CHEBI:9468, 0619F35CGV, DTXSID1043883, p-(butylamino)benzoic acid beta-(dimethylamino)ethyl ester, Tetracaine cream, FranklyNumb 3, Painless Tattoo 3, Burn Solution Cream, RefChem:56112, Numfast Tetracaine Green, Hydrochloride, Tetrracaine, BLT 3, DTXCID9023883
- Molecular formula
- C15H24N2O2
- Empirical formula
- C15H24N2O2
- Molecular weight
- 264.36 g/mol
- Exact mass
- 264.18378
- CAS number
- 94-24-6
- PubChem CID
- 5411
- Canonical SMILES
- CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C
- Isomeric SMILES
- CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C
- InChI
- InChI=1S/C15H24N2O2/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
- InChIKey
- GKCBAIGFKIBETG-UHFFFAOYSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 19
- Rings
- 1
- Aromatic rings
- 1
- Fraction sp³ carbons (Fsp3)
- 0.53
- H-bond donors
- 1
- H-bond acceptors
- 4
- Rotatable bonds
- 8 computed here · PubChem 9
- TPSA (Ų)
- 41.6
- Formal charge
- 0
- XLogP3
- 3.7 PubChem
- Complexity
- 249 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C68.15%
- H9.15%
- N10.60%
- O12.10%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- 2.62 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -2.83 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 1.82 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 264.37
- log P ≤ 5 (Crippen): 2.62
- H-bond donors ≤ 5: 1
- H-bond acceptors ≤ 10: 4
Passes all four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
Danger
Most widely reported: 43 company reports to ECHA. Source [1].
- Acute toxicity
- Harmful or irritant
- Health hazard
- H301Toxic if swallowed (97.7% of reports)
- H317May cause an allergic skin reaction (93% of reports)
- H351Suspected of causing cancer (93% of reports)
Precautionary statements: P203, P261, P264, P270, P272, P280, P301+P316, P302+P352, P318, P321, P330, P333+P317, P362+P364, P405, P501
Safety data sheets on the supplier’s page: CATO Research Chemicals Inc., Sigma-Aldrich, Pi Chemicals.
Always read the supplier’s safety data sheet before working with it.
Spectra
- NMRNMRShiftDB
- 13C NMRSpectraBase (Bruker WH-90)
- GC-MSNIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center
- MS-MSHuman Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive)
- LC-MSMassBank Europe (Exploris 480 Orbitrap (Thermo Scientific) · LC-ESI-QFT · POSITIVE) · MassBank Europe (Exploris 480 Orbitrap (Thermo Scientific) · LC-ESI-QFT · NEGATIVE) · MassBank Europe (Bruker maXis Impact · LC-ESI-QTOF · POSITIVE) · MassBank Europe (Bruker maXis Impact · LC-ESI-QTOF · POSITIVE) · MassBank Europe (Bruker maXis Impact · LC-ESI-QTOF · POSITIVE) · MassBank Europe (Bruker maXis Impact · LC-ESI-QTOF · POSITIVE)
- ATR-IRSpectraBase (Bio-Rad FTS · ATR-Film (MeCl2) (DuraSamplIR II))
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [2]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
- [3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [4]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- [5]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [6]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- [7]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.