Basic information
- CAS
28321-33-7- Standard SMILES
CC(C)C(C=O)(CCN1CCCCC1)c1cccc2ccccc12- InChIKey
KSGAQWIFAJCZKJ-UHFFFAOYSA-N- Molecular formula
- C22H29NO
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.22491455
Names & identifiers
- Preferred name
- 1-Naphthaleneacetaldehyde, alpha-isopropyl-alpha-(2-piperidinoethyl)-
- IUPAC
- 3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butanal
- English name
- α-Isopropyl-α-(2-piperidinoethyl)-1-naphthaleneacetaldehyde
- Molecular formula
- C22H29NO
- Molecular weight
- 323.48
Names & synonyms
28321-33-71-Naphthaleneacetaldehyde, alpha-isopropyl-alpha-(2-piperidinoethyl)-RefChem:1055916NSC 180670BRN 1655590alpha-Isopropyl-alpha-(2-piperidinoethyl)-1-naphthaleneacetaldehydeNSC1806702-(alpha-Naphthyl)-2-(2-piperidinoethyl)-3-methylbutanal3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butanalDTXSID5013850401-Piperidinebutanamide, alpha-(1-methylethyl)-alpha-1-naphthalenyl-1-Piperidinebutanamide, .alpha.-(1-methylethyl)-.alpha.-1-naphthalenyl-
Show more names
2-(α-Naphthyl)-2-(2-piperidino-aethyl)-3-methyl-butanal1-Piperidinebutanal, α-(1-methylethyl)-α-1-naphthalenyl-α-Isopropyl-α-(2-piperidinoethyl)-1-naphthaleneacetaldehyde
NSC-1806701-Naphthaleneacetaldehyde, .alpha.-isopropyl-.alpha.-(2-piperidinoethyl)-
Database identifiers
- CAS
28321-33-7- PubChem CID
- 99699
- DTXSID
DTXSID501385040- Nikkaji
- J85.489A
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 479.3 · 479.3±38.0 °C(Predicted)
- Density
- 1.04 · 1.040±0.06 g/cm3(Predicted)
- pka
- 9.22 · 9.22±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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