2-Naphthaleneacetaldehyde, alpha-sec-butyl-alpha-(2-morpholinoethyl)-
Basic information
- CAS
30120-94-6- Standard SMILES
CCC(C)C(C=O)(CCN1CCOCC1)c1ccc2ccccc2c1- InChIKey
IMEADGKDCFBYKR-UHFFFAOYSA-N- Molecular formula
- C22H29NO2
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.21982917
Names & identifiers
- Preferred name
- 2-Naphthaleneacetaldehyde, alpha-sec-butyl-alpha-(2-morpholinoethyl)-
- IUPAC
- 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-2-ylpentanal
- English name
- α-(sec-Butyl)-α-(2-naphtyl)-4-morpholinebutanal
- Molecular formula
- C22H29NO2
- Molecular weight
- 339.47
Names & synonyms
30120-94-6NSC 180654BRN 47347522-Naphthaleneacetaldehyde, alpha-sec-butyl-alpha-(2-morpholinoethyl)-alpha-sec-Butyl-alpha-(2-morpholinoethyl)-2-naphthaleneacetaldehyde4-Morpholinebutanal, alpha-(1-methylpropyl)-alpha-2-naphthalenyl-RefChem:2640834-Morpholinebutanal, alpha-(1-methylpropyl)-alpha-2-naphthalenyl-(9CI)NSC180654DTXSID209525373-methyl-2-[2-(morpholin-4-yl)ethyl]-2-(naphthalen-2-yl)pentanal4-Morpholinebutanal, .alpha.-(1-methylpropyl)-.alpha.-2-naphthalenyl-
Show more names
α-(sec-Butyl)-α-(2-naphtyl)-4-morpholinebutanal4-Morpholinebutanal, α-(1-methylpropyl)-α-2-naphthalenyl-
NSC-180654alpha-(sec-Butyl)-alpha-(2-naphtyl)-4-morpholinebutanal2-Naphthaleneacetaldehyde, .alpha.-sec-butyl-.alpha.-(2-morpholinoethyl)-
Database identifiers
- CAS
30120-94-6- PubChem CID
- 99696
- DTXSID
DTXSID20952537- Nikkaji
- J41.819F
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Boiling point
- 501.7 · 501.7±50.0 °C(Predicted)
- Density
- 1.065 · 1.065±0.06 g/cm3(Predicted)
- pka
- 7.23 · 7.23±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…