1-Naphthaleneacetonitrile, alpha-(2-(diethylamino)ethyl)-alpha-isopropyl-
Basic information
- CAS
2572-72-7- Standard SMILES
CCN(CC)CCC(C#N)(c1cccc2ccccc12)C(C)C- InChIKey
QAMAQCXZZPJWOJ-UHFFFAOYSA-N- Molecular formula
- C21H28N2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.2252489
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-(2-(diethylamino)ethyl)-alpha-isopropyl-
- IUPAC
- 2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-ylbutanenitrile
- English name
- 1-NAPHTHALENEACETONITRILE, alpha-(2-(DIETHYLAMINO)ETHYL)-alpha-ISOPROP YL-
- Molecular formula
- C21H28N2
- Molecular weight
- 308.46
Names & synonyms
BRN 21538922572-72-7alpha-(2-(Diethylamino)ethyl)-alpha-isopropyl-1-naphthaleneacetonitrile1-NAPHTHALENEACETONITRILE, alpha-(2-(DIETHYLAMINO)ETHYL)-alpha-ISOPROPYL-RefChem:232220DTXSID109486012-[2-(DIETHYLAMINO)ETHYL]-3-METHYL-2-(NAPHTHALEN-1-YL)BUTANENITRILEα-[2-(Diethylamino)ethyl]-α-isopropyl-1-naphthaleneacetonitrile1-Naphthaleneacetonitrile, α-[2-(diethylamino)ethyl]-α-(1-methylethyl)-1-NAPHTHALENEACETONITRILE, alpha-(2-(DIETHYLAMINO)ETHYL)-alpha-ISOPROP YL-
Database identifiers
- CAS
2572-72-7- PubChem CID
- 17394
- DTXSID
DTXSID10948601- Nikkaji
- J42.400E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 449 · 449.0±38.0 °C(Predicted)
- Density
- 1.005 · 1.005±0.06 g/cm3(Predicted)
- pka
- 9.77 · 9.77±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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