4-[(Cycloheptylamino)methyl]-2,6-dimethoxyphenol
Basic information
- CAS
423732-46-1- Standard SMILES
COc1cc(CNC2CCCCCC2)cc(OC)c1O- InChIKey
IQGHGGMGPDLDQO-UHFFFAOYSA-N- Molecular formula
- C16H25NO3
- Average molar mass
- 279.37 g/mol
- Monoisotopic mass
- 279.18344366
Names & identifiers
- Preferred name
- 4-[(Cycloheptylamino)methyl]-2,6-dimethoxyphenol
- IUPAC
- 4-[(cycloheptylamino)methyl]-2,6-dimethoxyphenol
- English name
- 4-[(cycloheptylamino)methyl]-2,6-dimethoxyphenol
- Molecular formula
- C16H25NO3
- Molecular weight
- 279.37
Names & synonyms
4-[(cycloheptylamino)methyl]-2,6-dimethoxyphenol423732-46-14-((Cycloheptylamino)methyl)-2,6-dimethoxyphenolOprea1_100079Oprea1_849411CHEMBL1618934DTXSID10354940STK232542AKOS000553898DB-1950284-[(cycloheptylamino)methyl]-2,6-dimethoxy-phenolPhenol, 4-[(cycloheptylamino)methyl]-2,6-dimethoxy-
Show more names
4-[(cycloheptylamino)methyl]-2,6-dimethoxyphenol(SALTDATA: HBr)
Database identifiers
- CAS
423732-46-1- PubChem CID
- 787227
- DTXSID
DTXSID10354940- ChEMBL
CHEMBL1618934
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Comptox DTXSID
- 10354940 · DTXSID10354940
- HS Code
- 2922509090 · 2922509090
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
- hs_code
- 2922509090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…