Basic information
- CAS
723308-53-0- Standard SMILES
CCC1CN(Cc2ccccc2)CCC1N- InChIKey
OXJYWERKFNGMGY-UHFFFAOYSA-N- Molecular formula
- C14H22N2
- Average molar mass
- 218.34 g/mol
- Monoisotopic mass
- 218.17829871
Names & identifiers
- Preferred name
- 1-Benzyl-3-ethylpiperidin-4-amine
- IUPAC
- 1-benzyl-3-ethylpiperidin-4-amine
- English name
- 4-Piperidinamine,3-ethyl-1-(phenylmethyl)-(9CI)
- Molecular formula
- C14H22N2
- Molecular weight
- 218.34
Names & synonyms
SCHEMBL1338175AKOS0174111371-benzyl-3-ethylpiperidin-4-amine4-PiperidinaMine, 3-ethyl-1-(phenylMethyl)-4-Piperidinamine,3-ethyl-1-(phenylmethyl)-(9CI)
Database identifiers
- CAS
723308-53-0- PubChem CID
- 45095299
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 308.3 · 308.3±35.0 °C(Predicted)
- Density
- 0.988 · 0.988±0.06 g/cm3(Predicted)
- pka
- 10.17 · 10.17±0.40(Predicted)
Chemistry & industry
Suppliers1 total
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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