chempirical

Benzocaine hydrochloride

C9H12ClNO2CAS 23239-88-5201.65 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C9H12ClNO2
Molar mass
201.65 g/mol
Exact mass
201.0557 Da
Melting point
291–292 °C
Boiling point
118–119 °C (at 0.8 Torr)
logP
1.87Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
23239-88-5
SMILES
CCOC(=O)c1ccc(N)cc1.Cl
InChIKey
JAADDQHUJDUAKW-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2.ClH/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6H,2,10H2,1H3;1H

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 4-amino-, ethyl ester, hydrochloride (1:1)
  • Benzoic acid, p-amino-, ethyl ester, hydrochloride
  • Benzoic acid, 4-amino-, ethyl ester, hydrochloride
  • Amben ethyl ester hydrochloride
  • Ethyl p-aminobenzoate hydrochloride
  • 4-(Ethoxycarbonyl)anilinium chloride

Work with Benzocaine 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.

Benzocaine94-09-7Free base

Similar compounds

Diethyl terephthalate636-09-970 % similar Risocaine94-12-264 % similar Diethyl 4,4'-biphenyldicarboxylate47230-38-664 % similar Procaine hydrochloride51-05-863 % similar Ethyl 3-aminobenzoate582-33-261 % similar Butyl 4-aminobenzoate94-25-761 % similar Trimethylene glycol di-p-aminobenzoate57609-64-060 % similar Ethyl 4-methylbenzoate94-08-660 % similar

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

Same formula

H-Phg-ome hcl15028-39-4 3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-1 Methyl 3-(aminomethyl)benzoate hydrochloride17841-68-8 D-Phenylglycine methyl ester hydrochloride19883-41-1 Glycine benzyl ester monohydrochloride2462-31-9 2-Amino-4'-methoxyacetophenone hydrochloride3883-94-1 Methyl 4-(aminomethyl)benzoate hydrochloride6232-11-7 N-Benzylglycine hydrochloride7689-50-1

Elsewhere

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