Sulfuric acid, dodecyl 1-(((1-methylethyl)amino)methyl)-2-(1-naphthalenyloxy)ethyl ester
Basic information
- CAS
135547-12-5- Standard SMILES
CCCCCCCCCCCCOS(=O)(=O)OC(CNC(C)C)COc1cccc2ccccc12- InChIKey
BIFJAUNMVWFANE-UHFFFAOYSA-N- Molecular formula
- C28H45NO5S
- Average molar mass
- 507.7 g/mol
- Monoisotopic mass
- 507.30184471
Names & identifiers
- Preferred name
- Sulfuric acid, dodecyl 1-(((1-methylethyl)amino)methyl)-2-(1-naphthalenyloxy)ethyl ester
- IUPAC
- dodecyl [1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] sulfate
Names & synonyms
135547-12-5Sulfuric acid, dodecyl 1-(((1-methylethyl)amino)methyl)-2-(1-naphthalenyloxy)ethyl esterDTXSID20929047Dodecyl 1-[(naphthalen-1-yl)oxy]-3-[(propan-2-yl)amino]propan-2-yl sulfate
Database identifiers
- CAS
135547-12-5- PubChem CID
- 178268
- DTXSID
DTXSID20929047
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 20
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 621
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Compound notes
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