Dimethocaine hydrochloride

C₁₆H₂₇ClN₂O₂CAS 553-63-9314.85 g/mol

Open in Covalent MOL file

Ester Primary amine Tertiary amine

Properties

Molecular formula: C₁₆H₂₇ClN₂O₂
Molar mass: 314.85 g/mol
Exact mass: 314.1761 Da
logP: 3.22Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 7

Hazards

Danger

H301 Toxic if swallowed100% of notifiers

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

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

553-63-9

SMILES

CCN(CC)CC(C)(C)COC(=O)C1=CC=C(C=C1)N.Cl

InChIKey

WWTWKTDXBNHESE-UHFFFAOYSA-N

InChI

InChI=1S/C16H26N2O2.ClH/c1-5-18(6-2)11-16(3,4)12-20-15(19)13-7-9-14(17)10-8-13;/h7-10H,5-6,11-12,17H2,1-4H3;1H

Weigh it out

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

Work with Dimethocaine 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.

Dimethocaine94-15-5Free base

Similar compounds

Procaine hydrochloride51-05-865 % similar Procaine59-46-158 % similar Benzocaine hydrochloride23239-88-557 % similar Benzocaine94-09-750 % similar Risocaine94-12-248 % similar Neopentyl glycol dibenzoate4196-89-847 % similar Procainamide hydrochloride614-39-146 % similar Butyl 4-aminobenzoate94-25-746 % similar

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

Elsewhere

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