3-(Benzylamino)-2,2-dimethylpropyl hydrogen sulfate
Basic information
- CAS
16047-90-8- Standard SMILES
CC(C)(CNCc1ccccc1)COS(=O)(=O)O- InChIKey
LIDBADFKICSIMI-UHFFFAOYSA-N- Molecular formula
- C12H19NO4S
- Average molar mass
- 273.35 g/mol
- Monoisotopic mass
- 273.10347926
Names & identifiers
- Preferred name
- 3-(Benzylamino)-2,2-dimethylpropyl hydrogen sulfate
- IUPAC
- [3-(benzylamino)-2,2-dimethylpropyl] hydrogen sulfate
Names & synonyms
16047-90-83-(benzylamino)-2,2-dimethylpropyl hydrogen sulfateNSC142619DTXSID40301366NSC-142619
Database identifiers
- CAS
16047-90-8- PubChem CID
- 285606
- DTXSID
DTXSID40301366
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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