Guanidine, 1,3-bis(2-pyridyl)-2-(2-dimethylaminoethyl)-, trichloride

HCID 44987

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Basic information

CAS: 63885-20-1
Standard SMILES: C[NH+](C)CC[NH+]=C(Nc1ccccn1)Nc1cccc[nH+]1.[Cl-].[Cl-].[Cl-]
InChIKey: AYOVZOBMSKVTAT-UHFFFAOYSA-N
Molecular formula: C15H23Cl3N6
Average molar mass: 393.7 g/mol
Monoisotopic mass: 392.104978

Names & identifiers

Preferred name: Guanidine, 1,3-bis(2-pyridyl)-2-(2-dimethylaminoethyl)-, trichloride
IUPAC: dimethyl-[2-[(pyridin-1-ium-2-ylamino)-(pyridin-2-ylamino)methylidene]azaniumylethyl]azanium trichloride

Names & synonyms

GUANIDINE, 1,3-BIS(2-PYRIDYL)-2-(2-DIMETHYLAMINOETHYL)-, TRICHLORIDE63885-20-1RefChem:1086220USAF A-14081,3-Bis-(2-pyridyl)-2-(2-dimethylamino ethyl)quanidiniumtrichlorideDTXSID201384362NSC 67447

Database identifiers

CAS: 63885-20-1
PubChem CID: 44987
DTXSID: DTXSID201384362

Properties

Computed structural properties

Topological polar surface area: 69.5 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 317

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