Basic information
- CAS
67427-69-4- Standard SMILES
Cc1ccc(C)c([NH2+]CC(O)C[NH2+]C(=N)N)c1.O=S(=O)([O-])[O-]- InChIKey
KKGBEMRBVWXBGQ-UHFFFAOYSA-N- Molecular formula
- C12H22N4O5S
- Average molar mass
- 334.39 g/mol
- Monoisotopic mass
- 334.13109099
Names & identifiers
- Preferred name
- Guanidine, 1-(2-hydroxy-3-(2,5-xylidino)propyl)-, hemisulfate, dl-
- IUPAC
- carbamimidoyl-[3-[(2,5-dimethylphenyl)azaniumyl]-2-hydroxypropyl]azanium sulfate
Names & synonyms
dl-1-(2-Hydroxy-3-(2,5-xylidino)propyl)guanidine hemisulfateGUANIDINE, 1-(2-HYDROXY-3-(2,5-XYLIDINO)PROPYL)-, HEMISULFATE, dl-67427-69-4RefChem:346825
Database identifiers
- CAS
67427-69-4- PubChem CID
- 49846
Properties
Computed structural properties
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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