1-Naphthaleneacetaldehyde, alpha-butyl-alpha-(2-pyrrolidinoethyl)-
Basic information
- CAS
30121-15-4- Standard SMILES
CCCCC(C=O)(CCN1CCCC1)c1cccc2ccccc12- InChIKey
XIMOEGPVAXZFHV-UHFFFAOYSA-N- Molecular formula
- C22H29NO
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.22491455
Names & identifiers
- Preferred name
- 1-Naphthaleneacetaldehyde, alpha-butyl-alpha-(2-pyrrolidinoethyl)-
- IUPAC
- 2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)hexanal
- English name
- 2-Phenylthiopyridine
- Molecular formula
- C11H9NS
- Molecular weight
- 187.26
Names & synonyms
30121-15-41-Naphthaleneacetaldehyde, alpha-butyl-alpha-(2-pyrrolidinoethyl)-RefChem:1055913NSC 171396NSC171396alpha-Butyl-alpha-(2-pyrrolidinoethyl)-1-naphthaleneacetaldehyde1-Pyrrolidinebutanal, alpha-butyl-alpha-1-naphthalenyl-2-(Naphthalen-1-yl)-2-[2-(pyrrolidin-1-yl)ethyl]hexanalDTXSID409532081-Pyrrolidinebutanal, .alpha.-butyl-.alpha.-1-naphthalenyl-NSC-171396alpha-Butyl-alpha-(1-naphtyl)-1-pyrrolidinebutanal
Show more names
2-PhenylthiopyridinePhenyl 2-pyridyl sulfidePyridine, 2-(phenylthio)-
1-Naphthaleneacetaldehyde, .alpha.-butyl-.alpha.-(2-pyrrolidinoethyl)-
Database identifiers
- CAS
30121-15-4、3111-54-4- PubChem CID
- 99074
- DTXSID
DTXSID40953208- Nikkaji
- J41.822F
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Melting point
- 165 °C · 165 °C
- Boiling point
- 138 · 138-140 °C(Press: 2.5 Torr)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 3.53 · 3.53±0.12(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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