Guanidine, (2-(1,8,8-trimethyl-3-azabicyclo(3.2.1)oct-3-yl)ethyl)-, sulfate

HCID 200846

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Basic information

CAS: 2847-69-0
Standard SMILES: CC12CCC(CN(CCN=C(N)N)C1)C2(C)C.O=S(=O)(O)O
InChIKey: WODQGIOISXFCTG-UHFFFAOYSA-N
Molecular formula: C13H28N4O4S
Average molar mass: 336.45 g/mol
Monoisotopic mass: 336.18312656

Names & identifiers

Preferred name: Guanidine, (2-(1,8,8-trimethyl-3-azabicyclo(3.2.1)oct-3-yl)ethyl)-, sulfate
IUPAC: sulfuric acid;2-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethyl]guanidine

Names & synonyms

2847-69-0(2-(1,8,8-Trimethyl-3-azabicyclo(3.2.1)oct-3-yl)ethyl)guanidine sulfateGuanidine, (2-(1,8,8-trimethyl-3-azabicyclo(3.2.1)oct-3-yl)ethyl)-, sulfateRefChem:346698DTXSID90951158Sulfuric acid--N-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethyl]guanidine (1/1)

Database identifiers

CAS: 2847-69-0
PubChem CID: 200846
DTXSID: DTXSID90951158

Properties

Computed structural properties

Topological polar surface area: 151 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 401

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