Guanidine, 1-((3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl)-, sulfate (2:1)
Basic information
- CAS
23474-99-9- Standard SMILES
NC(N)=NCc1ccc2c(c1)OCCCO2.NC(N)=NCc1ccc2c(c1)OCCCO2.O=S(=O)(O)O- InChIKey
OFXLSJJXQKLJSU-UHFFFAOYSA-N- Molecular formula
- C22H32N6O8S
- Average molar mass
- 540.6 g/mol
- Monoisotopic mass
- 540.20023317
Names & identifiers
- Preferred name
- Guanidine, 1-((3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl)-, sulfate (2:1)
- IUPAC
- bis(2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)guanidine);sulfuric acid
Names & synonyms
Guanidine, 1-((3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl)-, sulfate (2:1)1-((3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)methyl)guanidine sulfate (2:1)DTXSID60178032RefChem:346802DTXCID9010052323474-99-9Sulfuric acid--N''-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]guanidine (1/2)
Database identifiers
- CAS
23474-99-9- PubChem CID
- 211620
- DTXSID
DTXSID60178032
Properties
Computed structural properties
- Topological polar surface area
- 249 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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