F-1700
Basic information
- CAS
68398-11-8- Standard SMILES
COc1cc(Br)cc(C[NH2+]C(C)C(O)c2ccccc2)c1O.[Cl-]- InChIKey
GHSJSTJUNBWFBP-UHFFFAOYSA-N- Molecular formula
- C17H21BrClNO3
- Average molar mass
- 402.7 g/mol
- Monoisotopic mass
- 401.03933
Names & identifiers
- Preferred name
- F-1700
- IUPAC
- (5-bromo-2-hydroxy-3-methoxyphenyl)methyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
Names & synonyms
F 170068398-11-8alpha-(1-((5-Bromo-2-hydroxy-3-methoxybenzyl)amino)ethyl)benzyl alcohol hydrochlorideF-1700Benzyl alcohol, alpha-(1-((5-bromo-2-hydroxy-3-methoxybenzyl)amino)ethyl)-, hydrochlorideRefChem:345341
Database identifiers
- CAS
68398-11-8- PubChem CID
- 50188
Properties
Computed structural properties
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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