4-(2-Morpholin-4-ylethoxy)benzonitrile
Basic information
- CAS
34334-04-8- Standard SMILES
N#Cc1ccc(OCCN2CCOCC2)cc1- InChIKey
KQTJRPZKCNRDQC-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- 4-(2-Morpholin-4-ylethoxy)benzonitrile
- IUPAC
- 4-(2-morpholin-4-ylethoxy)benzonitrile
- English name
- 4-(2-Morpholin-4-ylethoxy)benzonitrile
- Molecular formula
- C13H16N2O2
- Molecular weight
- 232.28
Names & synonyms
4-(2-morpholin-4-ylethoxy)benzonitrile34334-04-8DTXSID20388155RefChem:287362DTXCID703391774-(2-morpholinoethoxy)benzonitrile4-[2-(morpholin-4-yl)ethoxy]benzonitrileMFCD077728504-[2-(4-morpholinyl)ethoxy]benzonitrileSCHEMBL424774KQTJRPZKCNRDQC-UHFFFAOYSA-NSBB097948
Show more names
Benzonitrile, 4-[2-(4-morpholinyl)ethoxy]-
AKOS000211804MS-222924-(2-morpholin-4-yl-ethoxy)-benzonitrileDB-068972CS-03234524-(2-morpholin-4-ylethoxy)benzenecarbonitrile
Database identifiers
- CAS
34334-04-8- PubChem CID
- 2994074
- DTXSID
DTXSID20388155
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 87 °C · 87 °C
- Boiling point
- 401.6 · 401.6±35.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 6.35 · 6.35±0.10(Predicted)
Related reactions
12 records
Compound notes
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