Basic information
- CAS
21454-20-6- Standard SMILES
CN(C)c1cc(N(C)C)c(O)c(N(C)C)c1- InChIKey
KCAMLFCTSSYIFW-UHFFFAOYSA-N- Molecular formula
- C12H21N3O
- Average molar mass
- 223.31 g/mol
- Monoisotopic mass
- 223.16846229
Names & identifiers
- Preferred name
- 2,4,6-Tris(dimethylamino)phenol
- IUPAC
- 2,4,6-tris(dimethylamino)phenol
- English name
- 2,4,6-tris(dimethylamino)phenol
- Molecular formula
- C12H21N3O
- Molecular weight
- 223.31
Names & synonyms
2,4,6-Tris(dimethylamino)phenol21454-20-6ZG94TZE8FLEINECS 244-396-5DTXSID70175734Phenol, 2,4,6-tris(dimethylamino)-RefChem:82183DTXCID4098225244-396-5UNII-ZG94TZE8FLSCHEMBL487689KCAMLFCTSSYIFW-UHFFFAOYSA-N
Show more names
NS00021850
Database identifiers
- CAS
21454-20-6- PubChem CID
- 88917
- DTXSID
DTXSID70175734- UNII
- ZG94TZE8FL
- EC Number
- 244-396-5
- Nikkaji
- J226.210J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 364.4 · 364.4±42.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- pka
- 11.47 · 11.47±0.23(Predicted)
- FDA UNII
- 94 TZE8FL · ZG94TZE8FL
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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