chempirical

Dipivefrin hydrochloride

C19H30ClNO5CAS 64019-93-8387.90 g/mol

Open in Covalent MOL file
HNHOOOOOHCl
AlcoholEsterSecondary amine

Properties

Molecular formula
C19H30ClNO5
Molar mass
387.90 g/mol
Exact mass
387.1813 Da
Melting point
158–159 °C
logP
3.26Crippen estimate
Polar surface area
84.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5

Identifiers

CAS number
64019-93-8
SMILES
CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1.Cl
InChIKey
VKFAUCPBMAGVRG-UHFFFAOYSA-N
InChI
InChI=1S/C19H29NO5.ClH/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6;/h8-10,13,20-21H,11H2,1-7H3;1H

Weigh it out

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

Names and synonyms

9 names
  • Propanoic acid, 2,2-dimethyl-, 1,1′-[4-[1-hydroxy-2-(methylamino)ethyl]-1,2-phenylene] ester, hydrochloride (1:1)
  • Propanoic acid, 2,2-dimethyl-, 4-[1-hydroxy-2-(methylamino)ethyl]-1,2-phenylene ester, hydrochloride, (±)-
  • Propanoic acid, 2,2-dimethyl-, 4-[1-hydroxy-2-(methylamino)ethyl]-1,2-phenylene ester, hydrochloride
  • Pivalephrine
  • Diopine
  • D Epifrin
  • Propine
  • Diphemin
  • Dipivefrine hydrochloride

Work with Dipivefrin 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

(±)-Epinephrine hydrochloride329-63-549 % similar (-)-Epinephrine hydrochloride55-31-249 % similar Synephrine hydrochloride5985-28-446 % similar (-)-Phenylephrine hydrochloride61-76-745 % similar (±)-Adrenaline329-65-743 % similar (-)-3,4-Dihydroxy-α-[2-(methylamino)ethyl]benzyl alcohol51-43-443 % similar (-)-Epinephrine (+)-bitartrate51-42-343 % similar Synephrine tartrate16589-24-541 % similar

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

Elsewhere

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