1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(2-morpholinoethyl)-
Basic information
- CAS
1238-65-9- Standard SMILES
CC(C)C(C#N)(CCN1CCOCC1)c1cccc2ccccc12- InChIKey
OGRZCCCGYFWIDL-UHFFFAOYSA-N- Molecular formula
- C21H26N2O
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.20451346
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(2-morpholinoethyl)-
- IUPAC
- 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanenitrile
- English name
- α-Isopropyl-α-(2-morpholinoethyl)-1-naphthaleneacetonitrile
- Molecular formula
- C21H26N2O
- Molecular weight
- 322.44394
Names & synonyms
1238-65-9alpha-Isopropyl-alpha-(2-morpholinoethyl)-1-naphthaleneacetonitrileBRN 10868521-NAPHTHALENEACETONITRILE, alpha-ISOPROPYL-alpha-(2-MORPHOLINOETHYL)-RefChem:2322323-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanenitrileDTXSID509246063-methyl-2-[2-(morpholin-4-yl)ethyl]-2-(naphthalen-1-yl)butanenitrileα-Isopropyl-α-(2-morpholinoethyl)-1-naphthaleneacetonitrile
Database identifiers
- CAS
1238-65-9- PubChem CID
- 14704
- DTXSID
DTXSID50924606- Nikkaji
- J40.733J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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