4'-O-Methylnorbelladine
Completing data — refresh the page later to see the latest
Basic information
- CAS
4579-60-6- Standard SMILES
COc1ccc(CNCCc2ccc(O)cc2)cc1O- InChIKey
SDLILULALIDNSO-UHFFFAOYSA-N- Molecular formula
- C16H19NO3
- Average molar mass
- 273.33 g/mol
- Monoisotopic mass
- 273.13649347
Overview
4'-O-methylnorbelladine is a phenethylamine alkaloid that is norbelladine in which the phenolic hydrogen at position 4' has been replaced by a methyl group. It has a role as a plant metabolite. It is a member of guaiacols, a polyphenol, a phenethylamine alkaloid and a secondary amino compound. It is functionally related to a norbelladine. It is a conjugate base of a 4'-O-methylnorbelladine(1+).
Names & identifiers
- Preferred name
- 4'-O-Methylnorbelladine
- IUPAC
- 5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxyphenol
- English name
- INETERMEDIATE OF GALANTHAMINE 1
- Molecular formula
- C16H19NO3
- Molecular weight
- 273.33
Names & synonyms
4'-O-MethylnorbelladineN-isovanillyltyramine5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxyphenol5-({[2-(4-Hydroxyphenyl)ethyl]amino}methyl)-2-methoxyphenolCHEBI:80667DTXSID502917295-[[[2-(4-HYDROXYPHENYL)ETHYL]AMINO]METHYL]-2-METHOXYPHENOL5-((2-(4-hydroxyphenyl)ethylamino)methyl)-2-methoxyphenol5-(((2-(4-HYDROXYPHENYL)ETHYL)AMINO)METHYL)-2-METHOXYPHENOLRefChem:96078DTXCID502428724579-60-6
Show more names
Galantamine Impurity 19INETERMEDIATE OF GALANTHAMINEN-(4-hydroxyphenethyl)-N-(3-hydroxy-4-methoxy)benzylaminePhenol, 5-[[[2-(4-hydroxyphenyl)ethyl]amino]methyl]-2-methoxy-
N-(p-Hydroxyphenethyl)-N-(3-hydroxy-4-methoxy)benzylamineInetermediate of galanthamine 1MFCD014445865-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxy-phenol5-(((4-Hydroxyphenethyl)amino)methyl)-2-methoxyphenolNSC77594Probes1_000056Probes2_000396
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 183 · 183-1850C
- Boiling point
- 471.8 · 471.8±40.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 9.44 · 9.44±0.10(Predicted)
- color
- Pale Brown to Brown
- CAS DataBase Reference
- 4579 · 4579-60-6
Chemistry & industry
Applications
UsesN-(p-Hydroxyphenethyl)-N-(3-hydroxy-4-methoxy)benzylamine (cas# 4579-60-6) is a compound useful in organic synthesis.
Additional notes
DefinitionChEBI: 4'-O-methylnorbelladine is a phenethylamine alkaloid that is norbelladine in which the phenolic hydrogen at position 4' has been replaced by a methyl group. It has a role as a plant metabolite. It is a polyphenol, a secondary amino compound, a phenethylamine alkaloid and a member of guaiacols. It is functionally related to a norbelladine. It is a conjugate base of a 4'-O-methylnorbelladine(1+).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…