1-Piperazinecarboximidamide, 4-((2-methylphenyl)methyl)-, sulfate (2:1)

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Basic information

CAS: 55212-37-8
Standard SMILES: Cc1ccccc1CN1CCN(C(=N)N)CC1.Cc1ccccc1CN1CCN(C(=N)N)CC1.O=S(=O)(O)O
InChIKey: OZTODJFRPLLVFG-UHFFFAOYSA-N
Molecular formula: C26H42N8O4S
Average molar mass: 562.7 g/mol
Monoisotopic mass: 562.30497302

Names & identifiers

Preferred name: 1-Piperazinecarboximidamide, 4-((2-methylphenyl)methyl)-, sulfate (2:1)
IUPAC: bis(4-[(2-methylphenyl)methyl]piperazine-1-carboximidamide);sulfuric acid

Names & synonyms

1-Piperazinecarboximidamide, 4-((2-methylphenyl)methyl)-, sulfate (2:1)4-((2-Methylphenyl)methyl)-1-piperazinecarboximidamide sulfate (2:1)55212-37-8DTXSID40203710RefChem:233540DTXCID70126201Sulfuric acid--4-[(2-methylphenyl)methyl]piperazine-1-carboximidamide (1/2)

Database identifiers

CAS: 55212-37-8
PubChem CID: 3043151
DTXSID: DTXSID40203710

Properties

Computed structural properties

Topological polar surface area: 196 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 39
Formal charge: 0
Complexity: 339

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Compound notes

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