3-[4-(Diethylamino)phenyl]prop-2-enenitrile
Basic information
- CAS
119516-33-5- Standard SMILES
CCN(CC)c1ccc(C=CC#N)cc1- InChIKey
NPWFCIFHEOTMMN-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Overview
See also: trans-4-(Diethylamino)cinnamonitrile (annotation moved to).
Names & identifiers
- Preferred name
- 3-[4-(Diethylamino)phenyl]prop-2-enenitrile
- IUPAC
- 3-[4-(diethylamino)phenyl]prop-2-enenitrile
Names & synonyms
3-[4-(diethylamino)phenyl]prop-2-enenitrile119516-33-5TimTec1_004056SCHEMBL4579889DTXSID10403604
Database identifiers
- CAS
119516-33-5- PubChem CID
- 4469435
- DTXSID
DTXSID10403604
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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