1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxaldehyde-O-propargyloxime hydrochloride
Basic information
- CAS
139886-24-1- Standard SMILES
C#CCON=CC1=CCCN(C)C1.Cl- InChIKey
LSCRMWXZUHWSAX-UHFFFAOYSA-N- Molecular formula
- C10H15ClN2O
- Average molar mass
- 214.69 g/mol
- Monoisotopic mass
- 214.0872908
Names & identifiers
- Preferred name
- 1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxaldehyde-O-propargyloxime hydrochloride
- IUPAC
- 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine;hydrochloride
Names & synonyms
DTXSID4013502681-Methyl-1,2,5,6-tetrahydropyridine-3-carboxaldehyde-O-propargyloxime hydrochloride
Database identifiers
- CAS
139886-24-1- PubChem CID
- 3072071
- DTXSID
DTXSID401350268
Properties
Computed structural properties
- XLogP
- 1.752
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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