1-Naphthaleneacetaldehyde, alpha-sec-butyl-alpha-(2-(N-ethyl-N-methylamino)ethyl)-
Basic information
- CAS
30121-01-8- Standard SMILES
CCC(C)C(C=O)(CCN(C)CC)c1cccc2ccccc12- InChIKey
WXJXMKXOWLSVKE-UHFFFAOYSA-N- Molecular formula
- C21H29NO
- Average molar mass
- 311.5 g/mol
- Monoisotopic mass
- 311.22491455
Names & identifiers
- Preferred name
- 1-Naphthaleneacetaldehyde, alpha-sec-butyl-alpha-(2-(N-ethyl-N-methylamino)ethyl)-
- IUPAC
- 2-[2-[ethyl(methyl)amino]ethyl]-3-methyl-2-naphthalen-1-ylpentanal
- English name
- α-[2-(Ethylmethylamino)ethyl]-α-sec-butyl-1-naphthaleneacetaldehyde
- Molecular formula
- C21H29NO
- Molecular weight
- 311.46
Names & synonyms
30121-01-8NSC 180611BRN 21487601-Naphthaleneacetaldehyde, alpha-sec-butyl-alpha-(2-(N-ethyl-N-methylamino)ethyl)-alpha-sec-Butyl-alpha-(2-(N-ethyl-N-methylamino)ethyl)-1-naphthaleneacetaldehyde1-Naphthaleneacetaldehyde, alpha-(2-(ethylmethylamino)ethyl)-alpha-(1-methylpropyl)-RefChem:2321641-Naphthaleneacetaldehyde, alpha-(2-(ethylmethylamino)ethyl)-alpha-(1-methylpropyl)-(9CI)NSC180611DTXSID809525382-{2-[Ethyl(methyl)amino]ethyl}-3-methyl-2-(naphthalen-1-yl)pentanalalpha-[2-(Ethylmethylamino)ethyl]-alpha-sec-butyl-1-naphthaleneacetaldehyde
Show more names
α-[2-(Ethylmethylamino)ethyl]-α-sec-butyl-1-naphthaleneacetaldehyde1-Naphthaleneacetaldehyde, α-[2-(ethylmethylamino)ethyl]-α-(1-methylpropyl)-
NSC-1806111-Naphthaleneacetaldehyde, .alpha.-[2-(ethylmethylamino)ethyl]-.alpha.-(1-methylpropyl)-1-Naphthaleneacetaldehyde, .alpha.-sec-butyl-.alpha.-[2-(N-ethyl-N-methylamino)ethyl]-
Database identifiers
- CAS
30121-01-8- PubChem CID
- 98925
- DTXSID
DTXSID80952538- Nikkaji
- J41.816A
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 369
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Compound notes
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