Arecoline

C8H13NO2CAS 63-75-2155.20 g/mol

Open in Covalent MOL file
OON
AlkeneEsterTertiary amine

Properties

Molecular formula
C8H13NO2
Molar mass
155.20 g/mol
Exact mass
155.0946 Da
Density
1.0495 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
209 °C
pKa
7.64
logP
0.42Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number
63-75-2
SMILES
COC(=O)C1=CCCN(C)C1
InChIKey
HJJPJSXJAXAIPN-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester
  • Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester
  • Arecaidine methyl ester
  • Arecoline base
  • Methyl 1,2,5,6-tetrahydro-1-methylnicotinate
  • 3-Methoxycarbonyl-1-methyl-1,2,5,6-tetrahydropyridine
  • Methyl N-methyl-1,2,5,6-tetrahydronicotinate
  • Arecolin
  • Methyl arecaidin
  • NSC 56321
  • Methylarecaidine
  • 1-Methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid methyl ester

Work with Arecoline

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

Arecoline hydrobromide300-08-3Salt

Similar compounds

Arecaidine499-04-756 % similar Methyl cyclopent-1-ene-1-carboxylate25662-28-651 % similar Methyl 1-cyclohexene-1-carboxylate18448-47-050 % similar 2,5-Dihydro-3-thiophenecarboxylic acid methyl ester 1,1-dioxide67488-50-040 % similar Dimethyl oxalate553-90-237 % similar Methyl N-methylisonipecotinate1690-75-135 % similar 1-Methylpyrrolidin-3-one68165-06-033 % similar 1,3-Dimethyl 2-(methoxymethylene)propanedioate22398-14-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetylcaprolactam1888-91-1 2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid20448-79-7 4-Acetamidocyclohexanone27514-08-5 Scopine498-45-3 (±)-6β-Hydroxytropinone5932-53-6 Bemegride64-65-3 2-Amino-cyclopent-1-enecarboxylic acid ethyl ester7149-18-0 tert-Butyl N-(prop-2-yn-1-yl)carbamate92136-39-5

Elsewhere

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