chempirical

Proparacaine hydrochloride

C16H27ClN2O3CAS 5875-06-9330.85 g/mol

Open in Covalent MOL file
OOONH2NHCl
EsterEtherPrimary amineTertiary amine

Properties

Molecular formula
C16H27ClN2O3
Molar mass
330.85 g/mol
Exact mass
330.1710 Da
Melting point
182–183.3 °C
logP
2.98Crippen estimate
Polar surface area
64.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
9

Identifiers

CAS number
5875-06-9
SMILES
CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl
InChIKey
BFUUJUGQJUTPAF-UHFFFAOYSA-N
InChI
InChI=1S/C16H26N2O3.ClH/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3;/h7-8,12H,4-6,9-11,17H2,1-3H3;1H

Weigh it out

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

Names and synonyms

12 names
  • Benzoic acid, 3-amino-4-propoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
  • Benzoic acid, 3-amino-4-propoxy-, 2-(diethylamino)ethyl ester, monohydrochloride
  • 2-(Diethylamino)ethyl 3-amino-4-propoxybenzoate hydrochloride
  • Ophthaine hydrochloride
  • 2-(Diethylamino)ethyl 3-amino-4-propoxybenzoate monohydrochloride
  • Ophthain
  • Alcaine
  • Chibro-keracaine
  • Ophthetic
  • Fluoracaine
  • Ak-taine
  • Paracaine

Work with Proparacaine hydrochloride

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

Similar compounds

Oxybuprocaine hydrochloride5987-82-675 % similar Procaine hydrochloride51-05-862 % similar Procaine59-46-156 % similar Chloroprocaine hydrochloride3858-89-749 % similar 8-(N,N-Diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride53464-72-547 % similar Hexadecyl 3-amino-4-chlorobenzoate143269-74-345 % similar Dodecyl 3-amino-4-chlorobenzoate6195-20-645 % similar Risocaine94-12-243 % similar

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

Elsewhere

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