chempirical

Arecaidine

C7H11NO2CAS 499-04-7141.17 g/mol

Open in Covalent MOL file
NOOH
AlkeneCarboxylic acidTertiary amine

Properties

Molecular formula
C7H11NO2
Molar mass
141.17 g/mol
Exact mass
141.0790 Da
Melting point
232 °C (decomposes)
Boiling point
104–112 °C (at NaN Torr)
logP
0.33Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
499-04-7
SMILES
CN1CCC=C(C(=O)O)C1
InChIKey
DNJFTXKSFAMXQF-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

9 names
  • 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-
  • Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-
  • 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid
  • N-Methylguvacine
  • NSC 76017
  • Arecaine
  • 1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid
  • 1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxylicacid
  • 1-Methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid

Work with Arecaidine

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

Arecoline63-75-256 % similar Arecoline hydrobromide300-08-351 % similar 1-Cyclopentene-1-carboxylic acid1560-11-845 % similar 1-Cyclohexene-1-carboxylic acid636-82-844 % similar (E)-2-Methyl-2-pentenoic acid16957-70-332 % similar 2-Methyl-2-pentenoic acid3142-72-132 % similar α-Ketobutyric acid600-18-032 % similar Perillic acid7694-45-331 % similar

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

Same formula

tert-Butyl cyanoacetate1116-98-9 4,4-Dimethyl-2,6-piperidinedione1123-40-6 5,5-Dimethylpiperidine-2,4-dione118263-81-3 2-Methylpropyl 2-cyanoacetate13361-31-4 Ethyl 2-cyano-2-methylpropionate1572-98-1 1-Acetyl-4-piperidone32161-06-1 Acryloylmorpholine5117-12-4 Butyl cyanoacetate5459-58-5

Elsewhere

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