Basic information
- CAS
99892-22-5- Standard SMILES
CN1CCN(C)CCN(S(C)(=O)=O)CCN(C)CC1- InChIKey
NQMXZMCZRYTHPV-UHFFFAOYSA-N- Molecular formula
- C12H28N4O2S
- Average molar mass
- 292.44 g/mol
- Monoisotopic mass
- 292.19329732
Names & identifiers
- Preferred name
- 1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-10-(methylsulfonyl)-
- IUPAC
- 1,4,7-trimethyl-10-methylsulfonyl-1,4,7,10-tetrazacyclododecane
Names & synonyms
99892-22-51,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-10-(methylsulfonyl)-DTXSID20338175RefChem:219893DTXCID50289262Oprea1_541010NQMXZMCZRYTHPV-UHFFFAOYSA-N1-Methylsulfonyl, 7,10-dimethyl 1,4,7,10-tetraaza-12-crown-41,4,7-Trimethyl-10-(methylsulfonyl)-1,4,7,10-tetraazacyclododecane #1-(Methanesulfonyl)-4,7,10-trimethyl-1,4,7,10-tetraazacyclododecane
Database identifiers
- CAS
99892-22-5- PubChem CID
- 547148
- DTXSID
DTXSID20338175
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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