chempirical

Benzoctamine hydrochloride

C18H20ClNCAS 10085-81-1285.81 g/mol

Open in Covalent MOL file
NHHCl
Secondary amine

Properties

Molecular formula
C18H20ClN
Molar mass
285.81 g/mol
Exact mass
285.1284 Da
Melting point
320–322 °C
logP
3.85Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
10085-81-1
SMILES
CNCC12CCC(c3ccccc31)c1ccccc12.Cl
InChIKey
NZPJYSIIKYJREH-UHFFFAOYSA-N
InChI
InChI=1S/C18H19N.ClH/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18;/h2-9,13,19H,10-12H2,1H3;1H

Weigh it out

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

Names and synonyms

7 names
  • 9,10-Ethanoanthracene-9(10H)-methanamine, N-methyl-, hydrochloride (1:1)
  • 9,10-Ethanoanthracene-9(10H)-methylamine, N-methyl-, hydrochloride
  • 9,10-Ethanoanthracene-9(10H)-methanamine, N-methyl-, hydrochloride
  • Tacitin
  • 9-(Methylaminomethyl)-9,10-dihydro-9,10-ethanoanthracene hydrochloride
  • Ba-30803
  • Tracitin

Work with Benzoctamine 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

Maprotiline hydrochloride10347-81-673 % similar Maprotiline10262-69-865 % similar N-Methyl-γ-phenylbenzenepropanamine28075-29-833 % similar Tulobuterol hydrochloride56776-01-333 % similar Sertraline hydrochloride79559-97-031 % similar Rel-(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride (1:1)79617-99-531 % similar 2,3,4,5-Tetrahydro-1H-1,5-methanobenzo[d]azepine hydrochloride230615-52-831 % similar 1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride49800-23-930 % similar

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

Elsewhere

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