chempirical

Tocainide

C11H16N2OCAS 41708-72-9192.26 g/mol

Open in Covalent MOL file
NHOH2N
Primary amine

Properties

Molecular formula
C11H16N2O
Molar mass
192.26 g/mol
Exact mass
192.1263 Da
Melting point
246–266 °C
logP
2.24Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
41708-72-9
SMILES
Cc1cccc(C)c1N=C(O)C(C)N
InChIKey
BUJAGSGYPOAWEI-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)

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

Names and synonyms

9 names
  • Propanamide, 2-amino-N-(2,6-dimethylphenyl)-
  • 2-Amino-N-(2,6-dimethylphenyl)propanamide
  • 2-Amino-2′,6′-propionoxylidide
  • Astra W 36095
  • W 36095
  • (RS)-Tocainide
  • (±)-Tocainide
  • Racemic tocainide
  • DL-Tocainide

Work with Tocainide

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

2′,6′-Pipecoloxylidide15883-20-249 % similar (2S)-N-(2,6-Dimethylphenyl)-2-piperidinecarboxamide27262-40-449 % similar Alanine β-naphthylamide720-82-149 % similar N-(2,6-Dimethylphenyl)acetamide2198-53-049 % similar Mepivacaine22801-44-147 % similar Mepivacaine hydrochloride1722-62-944 % similar Bupivacaine2180-92-944 % similar (-)-Bupivacaine27262-47-144 % similar

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

Same formula

2-Amino-N-tert-butylbenzamide1203-89-0 1-[2-(Aminomethyl)phenyl]-3-pyrrolidinol1220033-92-0 1-(3-Methoxyphenyl)piperazine16015-71-7 1-(2-Methoxyphenyl)piperazine35386-24-4 1-(4-Methoxyphenyl)piperazine38212-30-5 4-tert-Butylbenzohydrazide43100-38-5

Elsewhere

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