Basic information
- CAS
752199-77-2- Standard SMILES
C=C[C@H]1CCC[C@H](C)N1- InChIKey
LARCQDAKZFWKDB-YUMQZZPRSA-N- Molecular formula
- C8H15N
- Average molar mass
- 125.21 g/mol
- Monoisotopic mass
- 125.12044948
Names & identifiers
- Preferred name
- (2R,6S)-2-Ethenyl-6-methylpiperidine
- IUPAC
- (2R,6S)-2-ethenyl-6-methylpiperidine
- English name
- Piperidine, 2-ethenyl-6-methyl-, (2R,6S)-rel- (9CI)
- Molecular formula
- C8H15N
- Molecular weight
- 125.21
Names & synonyms
752199-77-2(2R,6S)-2-ETHENYL-6-METHYLPIPERIDINEDTXSID30703693Piperidine, 2-ethenyl-6-methyl-, (2R,6S)-rel- (9CI)
Database identifiers
- CAS
752199-77-2- PubChem CID
- 53471602
- DTXSID
DTXSID30703693
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98.7
Physicochemical properties
- Boiling point
- 158.345 · 158.345±19.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.874 · 0.874±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.022 · 10.022±0.10(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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