Basic information
- CAS
13326-38-0- Standard SMILES
CC(C)C(C#N)(CCCN1CCOCC1)c1cccc2ccccc12- InChIKey
MVEGEKZTQWXRNO-UHFFFAOYSA-N- Molecular formula
- C22H28N2O
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.22016352
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-morpholinopropyl)-
- IUPAC
- 5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanenitrile
- English name
- α-Isopropyl-α-(3-morpholinopropyl)-1-naphthaleneacetonitrile
- Molecular formula
- C22H28N2O
- Molecular weight
- 336.47052
Names & synonyms
13326-38-01-NAPHTHALENEACETONITRILE, alpha-ISOPROPYL-alpha-(3-MORPHOLINOPROPYL)-RefChem:1055963alpha-Isopropyl-alpha-(3-morpholinopropyl)-1-naphthaleneacetonitrileBRN 11575315-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanenitrile4-Morpholinevaleronitrile, alpha-isopropyl-alpha-1-naphthyl-DTXSID309280265-(Morpholin-4-yl)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanenitrileα-Isopropyl-α-(3-morpholinopropyl)-1-naphthaleneacetonitrile
Database identifiers
- CAS
13326-38-0- PubChem CID
- 25876
- DTXSID
DTXSID30928026- Nikkaji
- J42.414E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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