Guanidine, 1-(2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl)-, sulfate (2:1)
Basic information
- CAS
23474-69-3- Standard SMILES
NC(N)=NCCc1ccc2c(c1)OCCCO2.NC(N)=NCCc1ccc2c(c1)OCCCO2.O=S(=O)(O)O- InChIKey
TUBNITSBMZBHDT-UHFFFAOYSA-N- Molecular formula
- C24H36N6O8S
- Average molar mass
- 568.6 g/mol
- Monoisotopic mass
- 568.2315333
Names & identifiers
- Preferred name
- Guanidine, 1-(2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl)-, sulfate (2:1)
- IUPAC
- bis(2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine);sulfuric acid
Names & synonyms
23474-69-3Guanidine, 1-(2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl)-, sulfate (2:1)1-(2-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)ethyl)guanidine sulfate (2:1)DTXSID00178031RefChem:346813DTXCID30100522Sulfuric acid--N''-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine (1/2)
Database identifiers
- CAS
23474-69-3- PubChem CID
- 211618
- DTXSID
DTXSID00178031
Properties
Computed structural properties
- Topological polar surface area
- 249 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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