Arecoline hydrobromide

C8H14BrNO2CAS 300-08-3236.11 g/mol

Open in Covalent MOL file
HBrOON
AlkeneEsterTertiary amine

Properties

Molecular formula
C8H14BrNO2
Molar mass
236.11 g/mol
Exact mass
235.0208 Da
Melting point
169–171 °C
logP
1.00Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
300-08-3
SMILES
Br.COC(=O)C1=CCCN(C)C1
InChIKey
AXOJRQLKMVSHHZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H

Weigh it out

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

Names and synonyms

7 names
  • 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrobromide (1:1)
  • Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrobromide
  • 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrobromide
  • Arecoline bromide
  • Methyl 1,2,5,6-tetrahydro-1-methylnicotinate hydrobromide
  • Methyl N-methyl-1,2,5,6-tetrahydronicotinate hydrobromide
  • Taeniolin

Work with Arecoline hydrobromide

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.

Arecoline63-75-2Free base

Similar compounds

Arecaidine499-04-751 % similar Methyl cyclopent-1-ene-1-carboxylate25662-28-647 % similar Methyl 1-cyclohexene-1-carboxylate18448-47-046 % similar 2,5-Dihydro-3-thiophenecarboxylic acid methyl ester 1,1-dioxide67488-50-037 % similar Dimethyl oxalate553-90-233 % similar Methyl N-methylisonipecotinate1690-75-133 % similar 1-Methylpyrrolidin-3-one68165-06-031 % similar 1,3-Dimethyl 2-(methoxymethylene)propanedioate22398-14-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-0

Elsewhere

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