2-Ethyl-4-(morpholin-4-yl)-2-phenylbutanenitrile
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Basic information
- CAS
2809-52-1- Standard SMILES
CCC(C#N)(CCN1CCOCC1)c1ccccc1- InChIKey
RQNNBMVBEQZRGU-UHFFFAOYSA-N- Molecular formula
- C16H22N2O
- Average molar mass
- 258.36 g/mol
- Monoisotopic mass
- 258.17321333
Names & identifiers
- Preferred name
- 2-Ethyl-4-(morpholin-4-yl)-2-phenylbutanenitrile
- IUPAC
- 2-ethyl-4-morpholin-4-yl-2-phenylbutanenitrile
- English name
- BUTYRONITRILE, 2-(2-MORPHOLINOETHYL)-2-PHENYL-
- Molecular formula
- C16H22N2O
- Molecular weight
- 258.36
Names & synonyms
2809-52-1DTXSID509508242-ETHYL-4-(MORPHOLIN-4-YL)-2-PHENYLBUTANENITRILERefChem:1063055DTXCID001378967BRN 10817202-(2-Morpholinoethyl)-2-phenylbutyronitrileBUTYRONITRILE, 2-(2-MORPHOLINOETHYL)-2-PHENYL-α-Ethyl-α-phenyl-4-morpholinebutyronitrile4-Morpholinebutanenitrile, α-ethyl-α-phenyl-
Database identifiers
- CAS
2809-52-1- PubChem CID
- 17765
- DTXSID
DTXSID50950824- Nikkaji
- J42.932E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
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Compound notes
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