4-(Diethylaminomethyl)-2,5-dimethylphenol
Basic information
- CAS
69286-57-3- Standard SMILES
CCN(CC)Cc1cc(C)c(O)cc1C- InChIKey
XWLYWWDJKAPLDA-UHFFFAOYSA-N- Molecular formula
- C13H21NO
- Average molar mass
- 207.31 g/mol
- Monoisotopic mass
- 207.16231429
Names & identifiers
- Preferred name
- 4-(Diethylaminomethyl)-2,5-dimethylphenol
- IUPAC
- 4-(diethylaminomethyl)-2,5-dimethylphenol
- English name
- 4-(Diethylaminomethyl)-2,5-dimethylphenol
- Molecular formula
- C13H21NO
- Molecular weight
- 207.31
Names & synonyms
4-(Diethylaminomethyl)-2,5-dimethylphenol69286-57-3EINECS 273-957-74-(Diethylaminomethyl)-2,5-xylenolSCHEMBL3751604-[(DIETHYLAMINO)METHYL]-2,5-DIMETHYLPHENOLDTXSID30219345NS00036825Phenol, 4-[(diethylamino)methyl]-2,5-dimethyl-InChI=1/C13H21NO/c1-5-14(6-2)9-12-7-11(4)13(15)8-10(12)3/h7-8,15H,5-6,9H2,1-4H4-(DIETHYLAMINOMETHYL)-2,5-DIMETHYLPHENOL 98%4-(Diethylaminomethyl)-2,5-dimethylphenol,98%
Database identifiers
- CAS
69286-57-3- PubChem CID
- 585129
- DTXSID
DTXSID30219345- EC Number
- 273-957-7
- Nikkaji
- J236.478F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 95 · 95-97 °C(Solv: methanol (67-56-1))
- Boiling point
- 300 · 300.0±37.0 °C(Predicted)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- pka
- 10.35 · 10.35±0.25(Predicted)
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