Basic information
- CAS
17238-50-5- Standard SMILES
N=C(N)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.N=C(N)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.O=S(=O)(O)O- InChIKey
SXSGDTDLDYMSFE-UHFFFAOYSA-N- Molecular formula
- C22H30Cl4N8O4S
- Average molar mass
- 644.4 g/mol
- Monoisotopic mass
- 642.086483
Names & identifiers
- Preferred name
- 1-Piperazinecarboxamidine, 4-(3,4-dichlorophenyl)-, hemisulfate
- IUPAC
- bis(4-(3,4-dichlorophenyl)piperazine-1-carboximidamide);sulfuric acid
Names & synonyms
1-Piperazinecarboxamidine, 4-(3,4-dichlorophenyl)-, hemisulfate17238-50-5RefChem:10564854-(3,4-Dichlorophenyl)-1-piperazinecarboxamidine sulfate (2:1)
Database identifiers
- CAS
17238-50-5- PubChem CID
- 24842002
Properties
Computed structural properties
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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