1H,6H-5a,10a-Diaza-3a,8a-diazoniapyrene, decahydro-3a,8a-dimethyl-, methyl sulfate (1:2)
Basic information
- CAS
270079-81-7- Standard SMILES
COS(=O)(=O)[O-].COS(=O)(=O)[O-].C[N+]12CCCN3CC[N+]4(C)CCCN(CC1)C4C32- InChIKey
CGZVNGLYXBSJAG-UHFFFAOYSA-L- Molecular formula
- C16H34N4O8S2
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.1818064
Names & identifiers
- Preferred name
- 1H,6H-5a,10a-Diaza-3a,8a-diazoniapyrene, decahydro-3a,8a-dimethyl-, methyl sulfate (1:2)
- IUPAC
- 1,8-dimethyl-4,11-diaza-1,8-diazoniatetracyclo[6.6.2.04,16.011,15]hexadecane;methyl sulfate
Names & synonyms
DTXSID3013760271H,6H-5a,10a-Diaza-3a,8a-diazoniapyrene, decahydro-3a,8a-dimethyl-, methyl sulfate (1:2)270079-81-7
Database identifiers
- CAS
270079-81-7- PubChem CID
- 9934598
- DTXSID
DTXSID301376027- EC Number
- 608-033-8
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 416
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Related reactions
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Compound notes
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