Guanidine, 1-(3,4-(methylenedioxy)phenethyl)-, sulfate (2:1)

HCID 28407

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Basic information

CAS: 17228-45-4
Standard SMILES: NC(=[NH2+])[NH2+]CCc1ccc2c(c1)OCO2.O=S(=O)([O-])[O-]
InChIKey: KGVVPJHWSMADBD-UHFFFAOYSA-N
Molecular formula: C10H15N3O6S
Average molar mass: 305.31 g/mol
Monoisotopic mass: 305.06815638

Names & identifiers

Preferred name: Guanidine, 1-(3,4-(methylenedioxy)phenethyl)-, sulfate (2:1)
IUPAC: [amino(azaniumylidene)methyl]-[2-(1,3-benzodioxol-5-yl)ethyl]azanium sulfate

Names & synonyms

1-(2-(1,3-Benzodioxol-5-yl)ethyl)guanidine sulfate (2:1)17228-45-41-(3,4-(Methylenedioxy)phenethyl)guanidine sulfate (2:1)GUANIDINE, 1-(3,4-(METHYLENEDIOXY)PHENETHYL)-, SULFATE (2:1)RefChem:346831

Database identifiers

CAS: 17228-45-4
PubChem CID: 28407

Properties

Computed structural properties

Topological polar surface area: 175 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 291

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