Procaine hydrochloride

C₁₃H₂₁ClN₂O₂CAS 51-05-8272.77 g/mol

Open in Covalent MOL file

Ester Primary amine Tertiary amine

Properties

Molecular formula: C₁₃H₂₁ClN₂O₂
Molar mass: 272.77 g/mol
Exact mass: 272.1292 Da
Density: 1.24 g/mL
Melting point: 155.5 °C
logP: 2.19Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed99.4% of notifiers
H317 May cause an allergic skin reaction87.3% of notifiers
H319 Causes serious eye irritation24.7% of notifiers
H360 May damage fertility or the unborn child22.8% of notifiers
H370 Causes damage to organs22.8% of notifiers

Aggregated from 158 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P308+P316, P318, P321, P330, P333+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

51-05-8

SMILES

CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl

InChIKey

HCBIBCJNVBAKAB-UHFFFAOYSA-N

InChI

InChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H

Weigh it out

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Names and synonyms

52 names · show all

Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester, monohydrochloride
Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, monohydrochloride
Anadolor
Anesthesol
Anestil
Atoxicocaine
Cetain
Chlorocaine
Diethylaminoethanol 4-aminobenzoate hydrochloride
2-Diethylaminoethyl p-aminobenzoate hydrochloride
Ethocaine
Irocaine
Isocaine-heisler
Juvocaine
Kerocaine
Lactocaine
Neocaine
Novocaine hydrochloride
Planocaine
Naucaine
Paracain
Sevicaine
Syncaine
Topokain
Westocaine
Novocaine
Procaine monohydrochloride
Neotonocaine
Novocain
Polocaine
Scurocaine
Allocaine
Bernacaine
Aminocaine
Eugerase
Ethocain
Herocaine
Naucain
Geriocaine
Gerovital H3
Isocaine
Isocain
Omnicain
Medaject
Gero
Syntocain
Enpro
Rocain
Jenacaine
Gerovital
2-(Diethylamino)ethyl 4-aminobenzoate hydrochloride

Work with Procaine 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

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.

Procaine59-46-1Free base Penicillin G procaine54-35-3Salt Benzylpenicillin procaine monohydrate6130-64-9Salt

Similar compounds

Chloroprocaine hydrochloride3858-89-765 % similar Dimethocaine hydrochloride553-63-965 % similar (Dimethylamino)ethyl p-aminobenzoate10012-47-264 % similar Benzocaine hydrochloride23239-88-563 % similar Proparacaine hydrochloride5875-06-962 % similar Risocaine94-12-261 % similar Oxybuprocaine hydrochloride5987-82-659 % similar Dimethocaine94-15-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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