Basic information
- CAS
63273-94-9- Standard SMILES
Cc1cc(OCC(O)C[NH2+]C(N)=[NH2+])ccc1C(C)C.O=S(=O)([O-])[O-]- InChIKey
YAKOWMAGEBPVJW-UHFFFAOYSA-N- Molecular formula
- C14H25N3O6S
- Average molar mass
- 363.43 g/mol
- Monoisotopic mass
- 363.1464067
Names & identifiers
- Preferred name
- Guanidine, (2-hydroxy-3-(3-methyl-4-(1-methylethyl)phenoxy)propyl)-, sulfate (2:1) (salt), (+-)-
- IUPAC
- [amino(azaniumylidene)methyl]-[2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium sulfate
Names & synonyms
Guanidine, (2-hydroxy-3-(3-methyl-4-(1-methylethyl)phenoxy)propyl)-, sulfate (2:1) (salt), (+-)-(+-)-(2-Hydroxy-3-(3-methyl-4-(1-methylethyl)phenoxy)propyl)guanidine sulfate (2:1) (salt)63273-94-9RefChem:346739
Database identifiers
- CAS
63273-94-9- PubChem CID
- 44453
Properties
Computed structural properties
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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