chempirical

Dimethocaine

C16H26N2O2CAS 94-15-5278.40 g/mol

Open in Covalent MOL file
NOONH2
EsterPrimary amineTertiary amine

Properties

Molecular formula
C16H26N2O2
Molar mass
278.40 g/mol
Exact mass
278.1994 Da
logP
2.79Crippen estimate
Polar surface area
55.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
7

Identifiers

CAS number
94-15-5
SMILES
CCN(CC)CC(C)(C)COC(=O)c1ccc(N)cc1
InChIKey
OWQIUQKMMPDHQQ-UHFFFAOYSA-N
InChI
InChI=1S/C16H26N2O2/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

Weigh it out

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

Names and synonyms

6 names
  • 1-Propanol, 2-[(diethylamino)methyl]-2-methyl-, 1-(4-aminobenzoate)
  • 1-Propanol, 3-(diethylamino)-2,2-dimethyl-, p-aminobenzoate (ester)
  • 1-Propanol, 3-(diethylamino)-2,2-dimethyl-, 4-aminobenzoate (ester)
  • 1-Propanol, 3-(diethylamino)-2,2-dimethyl-, p-amino benzoate
  • Larocaine
  • NSC 68927

Work with Dimethocaine

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

Procaine59-46-162 % similar Procaine hydrochloride51-05-858 % similar Benzocaine94-09-753 % similar Risocaine94-12-251 % similar Benzocaine hydrochloride23239-88-550 % similar Neopentyl glycol dibenzoate4196-89-850 % similar Butyl 4-aminobenzoate94-25-749 % similar (Dimethylamino)ethyl p-aminobenzoate10012-47-248 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook