4-{[(Furan-2-ylmethyl)-amino]-methyl}-2,6-dimethoxy-phenol hydrochloride
Basic information
- CAS
1135231-29-6- Standard SMILES
COc1cc(CNCc2ccco2)cc(OC)c1O.Cl- InChIKey
XZHBUKWARGCBRI-UHFFFAOYSA-N- Molecular formula
- C14H18ClNO4
- Average molar mass
- 299.75 g/mol
Names & identifiers
- Preferred name
- 4-{[(Furan-2-ylmethyl)-amino]-methyl}-2,6-dimethoxy-phenol hydrochloride
- IUPAC
- 4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
- English name
- 4-([(Furan-2-ylmethyl)-amino]-methyl)-2,6-dimethoxy-phenol hydrochloride
- Molecular formula
- C14H18ClNO4
- Molecular weight
- 299.75
Names & synonyms
1135231-29-64-{[(FURAN-2-YLMETHYL)-AMINO]-METHYL}-2,6-DIMETHOXY-PHENOL HYDROCHLORIDE4-(((Furan-2-ylmethyl)amino)methyl)-2,6-dimethoxyphenol hydrochloride4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride4-{[(Furan-2-ylmethyl)-amino]-methyl}-2,6-dimethoxy-phenolMLS001202965CHEMBL1464086AKOS015848384SMR000524132SR-01000323803SR-01000323803-14-(((Furan-2-ylmethyl)amino)methyl)-2,6-dimethoxyphenolhydrochloride
Show more names
4-([(Furan-2-ylmethyl)-amino]-methyl)-2,6-dimethoxy-phenol hydrochloride
Database identifiers
- CAS
1135231-29-6- ChEMBL
CHEMBL1464086
Properties
Computed structural properties
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
Solubility41.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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