Guanidine, 1-(2-(3-(2-aminoethyl)guanidino)ethyl)-3-(2-pyridyl)-, sulfate

HCID 35692

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Basic information

CAS: 30953-42-5
Standard SMILES: NC(=NCC[NH3+])NCCN=C(N)Nc1ccccn1.O=S(=O)([O-])O
InChIKey: CKHMXFUTQIOROX-UHFFFAOYSA-N
Molecular formula: C11H22N8O4S
Average molar mass: 362.41 g/mol
Monoisotopic mass: 362.14847239

Names & identifiers

Preferred name: Guanidine, 1-(2-(3-(2-aminoethyl)guanidino)ethyl)-3-(2-pyridyl)-, sulfate
IUPAC: 2-[[amino-[2-[[amino-(pyridin-2-ylamino)methylidene]amino]ethylamino]methylidene]amino]ethylazanium;hydrogen sulfate

Names & synonyms

30953-42-5GUANIDINE, 1-(2-(3-(2-AMINOETHYL)GUANIDINO)ETHYL)-3-(2-PYRIDYL)-, SULFATERefChem:10862272-(Aminoethylguanidinoethylguanidino)pyridine sulfate1-(2-(3-(2-Aminoethyl)guanidino)ethyl)-3-(2-pyridyl)guanidine sulfateGuanidine, N-(2-((((2-aminoethyl)amino)iminomethyl)amino)ethyl)-N'-2-pyridinyl-, sulfate

Database identifiers

CAS: 30953-42-5
PubChem CID: 35692

Properties

Computed structural properties

Topological polar surface area: 227 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 377

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