Basic information
- CAS
66398-64-9- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2CCCN2N=O)cc1- InChIKey
VZAJBRLBQNECNI-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4S
- Average molar mass
- 284.33 g/mol
- Monoisotopic mass
- 284.08307817
Names & identifiers
- Preferred name
- 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester)
- IUPAC
- (1-nitrosopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate
- English name
- 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester)
- Molecular formula
- C12H16N2O4S
- Molecular weight
- 284.33
Names & synonyms
66398-64-92-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester)DTXSID60985041(1-Nitrosopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate2-Pyrrolidinemethanol, 1-nitroso-, 2-(4-methylbenzenesulfonate)
Database identifiers
- CAS
66398-64-9- PubChem CID
- 149376
- DTXSID
DTXSID60985041
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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