Einecs 262-084-7
Basic information
- CAS
60154-14-5- Standard SMILES
C1N2CN3CN1CN(C2)C3.CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2- InChIKey
AXEFIGHWTZPXOH-UHFFFAOYSA-N- Molecular formula
- C16H28N4O4S
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.18312656
Names & identifiers
- Preferred name
- Einecs 262-084-7
- IUPAC
- (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Names & synonyms
EINECS 262-084-760154-14-5(1S)-2-Oxobornane-10-sulphonic acid, compound with 1,3,5,7-tetraazatricyclo(3.3.1.13,7)decane (1:1)
Database identifiers
- CAS
60154-14-5、93777-05-0- PubChem CID
- 3085175
- EC Number
- 262-084-7
Properties
Computed structural properties
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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