Betahistine dihydrochloride

C8H14Cl2N2CAS 5579-84-0209.11 g/mol

Open in Covalent MOL file
HNNHClHCl
Secondary amine

Properties

Molecular formula
C8H14Cl2N2
Molar mass
209.11 g/mol
Exact mass
208.0534 Da
Melting point
148–149 °C
logP
1.69Crippen estimate
Polar surface area
24.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5579-84-0
SMILES
CNCCc1ccccn1.Cl.Cl
InChIKey
XVDFMHARQUBJRE-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H

Weigh it out

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

Names and synonyms

10 names
  • 2-Pyridineethanamine, N-methyl-, hydrochloride (1:2)
  • Pyridine, 2-[2-(methylamino)ethyl]-, dihydrochloride
  • 2-Pyridineethanamine, N-methyl-, dihydrochloride
  • PT 9
  • Betahistine hydrochloride
  • 2-[2-(Methylamino)ethyl]pyridine dihydrochloride
  • Serc
  • Sinmenier
  • Betaserc
  • Vasomotal

Work with Betahistine dihydrochloride

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.

Betahistine5638-76-6Free base Betahistine mesylate54856-23-4Salt

Similar compounds

2-Propylpyridine622-39-952 % similar Picolyl chloride hydrochloride6959-47-350 % similar 2-Butylpyridine5058-19-549 % similar 1-(2-Pyridin-2-yl-ethyl)-piperazine53345-15-647 % similar 2-Pentylpyridine2294-76-047 % similar N-Methyl-N,N-bis(2-pyridylethyl)amine5452-87-947 % similar 2-Pyridineethanol103-74-247 % similar 2-(3-Phenylpropyl)pyridine2110-18-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N,N-Dimethyl-m-phenylenediamine dihydrochloride3575-32-4 N,N-Dimethyl-p-phenylenediamine dihydrochloride536-46-9

Elsewhere

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