1-Propanol, 3,3'-(benzylimino)di-, dimethanesulfonate (ester), hydrochloride
Basic information
- CAS
2990-22-9- Standard SMILES
CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)Cc1ccccc1.Cl- InChIKey
BGWVHHATXPCFNA-UHFFFAOYSA-N- Molecular formula
- C15H26ClNO6S2
- Average molar mass
- 416 g/mol
- Monoisotopic mass
- 415.0890076
Names & identifiers
- Preferred name
- 1-Propanol, 3,3'-(benzylimino)di-, dimethanesulfonate (ester), hydrochloride
- IUPAC
- 3-[benzyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate;hydrochloride
Names & synonyms
1-Propanol, 3,3'-(benzylimino)di-, dimethanesulfonate (ester), hydrochloride3,3'-Dimesyloxy-N-benzyldipropylamine hydrochloride3,3'-(Benzylimino)di-1-propanol dimethanesulfonate (ester) hydrochloride2990-22-9DTXSID00184016RefChem:234652DTXCID10106507(Benzylazanediyl)di(propane-3,1-diyl) dimethanesulfonate--hydrogen chloride (1/1)
Database identifiers
- CAS
2990-22-9- PubChem CID
- 200967
- DTXSID
DTXSID00184016
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 489
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Related reactions
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Compound notes
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