Basic information
- CAS
4439-06-9- Standard SMILES
CN(C)c1ccc(C(C#N)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1- InChIKey
SPTOONCAHFZDNU-UHFFFAOYSA-N- Molecular formula
- C26H30N4
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.24704697
Names & identifiers
- Preferred name
- Tris[4-(dimethylamino)phenyl]acetonitrile
- IUPAC
- 2,2,2-tris[4-(dimethylamino)phenyl]acetonitrile
- English name
- 4-(N,N-Dimethylamino)-α,α-bis[4-(dimethyl amino)phenyl]-benzene acetonitrile
- Molecular formula
- C26H30N4
- Molecular weight
- 398.54
Names & synonyms
4439-06-9tris[4-(dimethylamino)phenyl]acetonitrileNSC156570SCHEMBL7535570DTXSID60303089NSC-156570CRYSTAL VIOLET LEUCONITRILETRIS-[4-(N,N-DIMETHYL AMINO)PHENYL]ACETO NITRILE4-(N,N-Dimethylamino)-α,α-bis[4-(dimethyl amino)phenyl]-benzene acetonitrile
Database identifiers
- CAS
4439-06-9- PubChem CID
- 291370
- DTXSID
DTXSID60303089- Nikkaji
- J1.438.542H
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 496
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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