chempirical

Chloroprocaine hydrochloride

C13H20Cl2N2O2CAS 3858-89-7307.21 g/mol

Open in Covalent MOL file
NOONH2ClHCl
Aryl halideEsterPrimary amineTertiary amine

Properties

Molecular formula
C13H20Cl2N2O2
Molar mass
307.21 g/mol
Exact mass
306.0902 Da
Melting point
177 °C
logP
2.84Crippen estimate
Polar surface area
55.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6

Identifiers

CAS number
3858-89-7
SMILES
CCN(CC)CCOC(=O)c1ccc(N)cc1Cl.Cl
InChIKey
SZKQYDBPUCZLRX-UHFFFAOYSA-N
InChI
InChI=1S/C13H19ClN2O2.ClH/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14;/h5-6,9H,3-4,7-8,15H2,1-2H3;1H

Weigh it out

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

Names and synonyms

8 names
  • Benzoic acid, 4-amino-2-chloro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
  • Benzoic acid, 4-amino-2-chloro-, 2-(diethylamino)ethyl ester, monohydrochloride
  • 2-Chloro-4-aminobenzoic acid diethylaminoethyl ester hydrochloride
  • 2-Chloroprocaine hydrochloride
  • 2-(Diethylamino)ethyl 4-amino-2-chlorobenzoate hydrochloride
  • Nesacaine hydrochloride
  • Chlorprocaine hydrochloride
  • Nesacaine

Work with Chloroprocaine 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

Procaine hydrochloride51-05-865 % similar Procaine59-46-159 % similar Proparacaine hydrochloride5875-06-949 % similar Oxybuprocaine hydrochloride5987-82-648 % similar Ethyl 2,4-dichlorobenzoate56882-52-143 % similar Adiphenine hydrochloride50-42-042 % similar Procainamide hydrochloride614-39-142 % similar Tilorone hydrochloride27591-69-141 % similar

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

Same formula

4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid dihydrochloride106261-49-8

Elsewhere

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