Basic information
- CAS
101198-06-5- Standard SMILES
COc1cc(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.[Cl-]- InChIKey
MSYPSCQESOIXJR-UHFFFAOYSA-N- Molecular formula
- C20H28ClNO6
- Average molar mass
- 413.9 g/mol
- Monoisotopic mass
- 413.1605153
Names & identifiers
- Preferred name
- Dibenzylamine, 3,3',4,4',5,5'-hexamethoxy-, hydrochloride
- IUPAC
- bis[(3,4,5-trimethoxyphenyl)methyl]azanium chloride
Names & synonyms
3,3',4,4',5,5'-Hexamethoxydibenzylamine hydrochloride101198-06-5DIBENZYLAMINE, 3,3',4,4',5,5'-HEXAMETHOXY-, HYDROCHLORIDERefChem:337294
Database identifiers
- CAS
101198-06-5- PubChem CID
- 58192
Properties
Computed structural properties
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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