Basic information
- CAS
15382-85-1- Standard SMILES
COc1cc([NH3+])ccc1OCCCCCOCc1ccccc1.CS(=O)(=O)[O-]- InChIKey
LXSSZWXGUWVFKK-UHFFFAOYSA-N- Molecular formula
- C20H29NO6S
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.17155882
Names & identifiers
- Preferred name
- m-Anisidine, 4-((5-(benzyloxy)pentyl)oxy)-, methanesulfonate
- IUPAC
- methanesulfonate;[3-methoxy-4-(5-phenylmethoxypentoxy)phenyl]azanium
Names & synonyms
15382-85-1m-ANISIDINE, 4-((5-(BENZYLOXY)PENTYL)OXY)-, METHANESULFONATEM & B 39884-((5-(Benzyloxy)pentyl)oxy)-m-anisidine methanesulfonateRefChem:351497methanesulfonate;[3-methoxy-4-(5-phenylmethoxypentoxy)phenyl]azanium
Database identifiers
- CAS
15382-85-1- PubChem CID
- 27237
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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