1-Naphthaleneacetaldehyde, alpha-(2-(diisopropylamino)ethyl)-alpha-isopropyl-
Basic information
- CAS
30121-10-9- Standard SMILES
CC(C)N(CCC(C=O)(c1cccc2ccccc12)C(C)C)C(C)C- InChIKey
YSADAPOJPAONGZ-UHFFFAOYSA-N- Molecular formula
- C23H33NO
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.25621468
Names & identifiers
- Preferred name
- 1-Naphthaleneacetaldehyde, alpha-(2-(diisopropylamino)ethyl)-alpha-isopropyl-
- IUPAC
- 2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-naphthalen-1-ylbutanal
- English name
- α-[2-[Bis(isopropyl)amino]ethyl]-α-isopropyl-1-naphthaleneacetaldehyde
- Molecular formula
- C23H33NO
- Molecular weight
- 339.51
Names & synonyms
30121-10-91-Naphthaleneacetaldehyde, alpha-(2-(diisopropylamino)ethyl)-alpha-isopropyl-RefChem:1055904NSC 180694BRN 2156449NSC180694alpha-(2-(Diisopropylamino)ethyl)-alpha-isopropyl-1-naphthaleneacetaldehydeDTXSID9013850422-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-naphthalen-1-ylbutanalalpha-[2-[Bis(isopropyl)amino]ethyl]-alpha-isopropyl-1-naphthaleneacetaldehydeNSC-1806941-Naphthaleneacetaldehyde, alpha-(2-(bis(1-methylethyl)amino)ethyl)-alpha-(1-methylethyl)-
Show more names
α-[2-[Bis(isopropyl)amino]ethyl]-α-isopropyl-1-naphthaleneacetaldehyde1-Naphthaleneacetaldehyde, α-[2-[bis(1-methylethyl)amino]ethyl]-α-(1-methylethyl)-
1-Naphthaleneacetaldehyde, .alpha.-[2-[bis(1-methylethyl)amino]ethyl]-.alpha.-(1-methylethyl)-1-Naphthaleneacetaldehyde, .alpha.-[2-(diisopropylamino)ethyl]-.alpha.-isopropyl-
Database identifiers
- CAS
30121-10-9- PubChem CID
- 99702
- DTXSID
DTXSID901385042- Nikkaji
- J42.348C
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Boiling point
- 458.9 · 458.9±38.0 °C(Predicted)
- Density
- 0.985 · 0.985±0.06 g/cm3(Predicted)
- pka
- 10.55 · 10.55±0.28(Predicted)
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Related reactions
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Compound notes
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