Phenol, 2-(((2-hydroxyethyl)amino)methyl)-6-methoxy-4-(2-propenyl)-
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Basic information
- CAS
54219-78-2- Standard SMILES
C=CCc1cc(CNCCO)c(O)c(OC)c1- InChIKey
PNTNVWPWHCLCHD-UHFFFAOYSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
- Monoisotopic mass
- 237.13649347
Names & identifiers
- Preferred name
- Phenol, 2-(((2-hydroxyethyl)amino)methyl)-6-methoxy-4-(2-propenyl)-
- IUPAC
- 2-[(2-hydroxyethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
- English name
- 2-[[(2-Hydroxyethyl)amino]methyl]-6-methoxy-4-(2-propenyl)phenol
- Molecular formula
- C13H19NO3
- Molecular weight
- 237.29
Names & synonyms
54219-78-2BRN 2740684Phenol, 2-(((2-hydroxyethyl)amino)methyl)-6-methoxy-4-(2-propenyl)-DTXSID202025642-(((2-Hydroxyethyl)amino)methyl)-6-methoxy-4-(2-propenyl)phenolNSC 243875RefChem:368937DTXCID50125055NSC243875NSC-2438752-{[(2-HYDROXYETHYL)AMINO]METHYL}-6-METHOXY-4-(PROP-2-EN-1-YL)PHENOLDB-292437
Show more names
ISS-50056-[[(2-Hydroxyethyl)amino]methyl]eugenol2-[[(2-Hydroxyethyl)amino]methyl]-6-methoxy-4-(2-propenyl)phenolPhenol, 2-[[(2-hydroxyethyl)amino]methyl]-6-methoxy-4-(2-propen-1-yl)-
2-[[(2-Hydroxyethyl)amino]methyl ]-6-methoxy-4-(2-propenyl)phenol
Database identifiers
- CAS
54219-78-2- PubChem CID
- 99574
- DTXSID
DTXSID20202564- Nikkaji
- J394.931A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 411.7 · 411.7±40.0 °C(Predicted)
- Density
- 1.119 · 1.119±0.06 g/cm3(Predicted)
- pka
- 10.53 · 10.53±0.48(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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