Guanidine, 1-(2-(1,4-benzodioxan-6-yl)-2-hydroxyethyl)-, sulfate (2:1)
Basic information
- CAS
21533-14-2- Standard SMILES
NC(N)=NCC(O)c1ccc2c(c1)OCCO2.NC(N)=NCC(O)c1ccc2c(c1)OCCO2.O=S(=O)(O)O- InChIKey
UDMFFVWUYCIJBU-UHFFFAOYSA-N- Molecular formula
- C22H32N6O10S
- Average molar mass
- 572.6 g/mol
- Monoisotopic mass
- 572.19006241
Names & identifiers
- Preferred name
- Guanidine, 1-(2-(1,4-benzodioxan-6-yl)-2-hydroxyethyl)-, sulfate (2:1)
- IUPAC
- bis(2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]guanidine);sulfuric acid
Names & synonyms
21533-14-21-(2-(1,4-Benzodioxan-6-yl)-2-hydroxyethyl)guanidine sulfate (2:1)Guanidine, 1-(2-(1,4-benzodioxan-6-yl)-2-hydroxyethyl)-, sulfate (2:1)RefChem:346808DTXSID70944144Sulfuric acid--N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]guanidine (1/2)
Database identifiers
- CAS
21533-14-2- PubChem CID
- 210706
- DTXSID
DTXSID70944144
Properties
Computed structural properties
- Topological polar surface area
- 289 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 362
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Compound notes
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