chempirical

Amethocaine

C15H24N2O2CAS 94-24-6264.37 g/mol

Open in Covalent MOL file
HNOON
EsterSecondary amineTertiary amine

Properties

Molecular formula
C15H24N2O2
Molar mass
264.37 g/mol
Exact mass
264.1838 Da
Melting point
130 °C
Boiling point
220–224 °C (at NaN Torr)
pKa
8.49
logP
2.62Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
8

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P272, P280, P301+P316, P302+P352, P318, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number
94-24-6
SMILES
CCCCNc1ccc(C(=O)OCCN(C)C)cc1
InChIKey
GKCBAIGFKIBETG-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

22 names · show all
  • Benzoic acid, 4-(butylamino)-, 2-(dimethylamino)ethyl ester
  • Benzoic acid, p-(butylamino)-, 2-(dimethylamino)ethyl ester
  • Anetain
  • Contralgin
  • 2-Dimethylaminoethyl p-butylaminobenzoate
  • Fissucain
  • Intercain
  • Laudocaine
  • Medicaine
  • Meethobalm
  • Metraspray
  • Mucaesthin
  • Rexocaine
  • Uromucaesthin
  • Butylocaine
  • Tetracaine
  • β-Dimethylaminoethyl p-butylaminobenzoate
  • β-Dimethylaminoethyl p-N-butylaminobenzoate
  • Pontocaine
  • Ametop
  • Medihaler-tetracaine
  • 2-(Dimethylamino)ethyl 4-(butylamino)benzoate

Work with Amethocaine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tetracaine hydrochloride136-47-0Salt

Similar compounds

Benzonatate104-31-469 % similar Ethyl 4-(butylamino)benzoate94-32-668 % similar Hydroxytetracaine490-98-267 % similar 2-Dimethylaminoethyl benzoate2208-05-157 % similar (Dimethylamino)ethyl p-aminobenzoate10012-47-257 % similar Butyl 4-aminobenzoate94-25-748 % similar Butylparaben94-26-848 % similar Butyl benzoate136-60-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

13,14-Didehydromatridin-15-one145572-44-7 Oxymatrine16837-52-8 N,N-Dipropyl-2-methyl-3-nitrophenylethanamine91374-23-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook