2-Methyl-4-methoxy-5-bis(2-hydroxypropyl)aminophenyl mesylate
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Basic information
- Standard SMILES
COc1cc(C)c(OS(C)(=O)=O)cc1N(CC(C)O)CC(C)O- InChIKey
WINHZUVDHPKERW-UHFFFAOYSA-N- Molecular formula
- C15H25NO6S
- Average molar mass
- 347.4 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-4-methoxy-5-bis(2-hydroxypropyl)aminophenyl mesylate
- IUPAC
- [5-[bis(2-hydroxypropyl)amino]-4-methoxy-2-methylphenyl] methanesulfonate
Names & synonyms
SCHEMBL9198857WINHZUVDHPKERW-UHFFFAOYSA-N2-methyl-4-methoxy-5-bis(2-hydroxypropyl)aminophenyl mesylate
Database identifiers
- PubChem CID
- 19821130
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 441
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Related reactions
2 records
Compound notes
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