CAS 1005785-71-6 6-Iodoimidazo[1,2-B]pyridazin-2-amine (HCID 57441024)

Substructure search Find similar structures

Basic information

CAS: 1005785-71-6
Standard SMILES: Nc1cn2nc(I)ccc2n1
InChIKey: RXJVFGCNOQXDCR-UHFFFAOYSA-N
Molecular formula: C6H5IN4
Average molar mass: 260.04 g/mol
Monoisotopic mass: 259.95589416

Names & identifiers

Preferred name: 6-Iodoimidazo[1,2-B]pyridazin-2-amine
IUPAC: 6-iodoimidazo[1,2-b]pyridazin-2-amine
English name: 6-iodoimidazo[1,2-b]pyridazin-2-amine
Molecular formula: C6H5IN4
Molecular weight: 260.04

Names & synonyms

6-IODOIMIDAZO[1,2-B]PYRIDAZIN-2-AMINE1005785-71-6MFCD177793066-iodoimidazo[1,2-b]pyridazine-2-amineSCHEMBL2514258DTXSID60726476RXJVFGCNOQXDCR-UHFFFAOYSA-NSY3549486-iodo-imidazo[1,2-b]pyridazin-2-ylamineDB-058460Imidazo[1,2-b]pyridazin-2-amine, 6-iodo-

Database identifiers

CAS: 1005785-71-6
PubChem CID: 57441024
DTXSID: DTXSID60726476

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 56.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 154

Physicochemical properties

Density: 2.43 · 2.43±0.1 g/cm3(Predicted)
pka: 7.12 · 7.12±0.30(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301-H311-H331
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501