296-35-5

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296-35-5 Structure

Identification	Back Directory
[Name] 1,4,7,10,13,16-HEXAAZACYCLOOCTADECANE
[CAS] 296-35-5
[Synonyms] IPS-109 HEXACYCLEN Hexaaza-18-crown-6 Hexacyclen >=97.0% (NT) 1,4,7,10,13,16-hexazacyclooctadecane 3,6,9,12,15,18-hexazacyclooctadecane 1,4,7,10,13,16-HEXAAZACYCLOOCTADECANE 1,4,7,10,13,16-Hexaazacyclooctadecane> 1,4,7,10,13,16-HEXAAZACYCLOOCTADECANE 97+% 1,4,10,13-Tetraaza-7,16-diazacyclooctadecane
[EINECS(EC#)] 206-042-8
[Molecular Formula] C12H30N6
[MDL Number] MFCD00042750
[MOL File] 296-35-5.mol
[Molecular Weight] 258.41

Chemical Properties	Back Directory
[Melting point ] 147-152 °C
[Boiling point ] 449.8±40.0 °C(Predicted)
[density ] 0.874±0.06 g/cm3(Predicted)
[storage temp. ] under inert gas (nitrogen or Argon) at 2-8°C
[solubility ] Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly)
[form ] Solid
[pka] 10.69±0.20(Predicted)
[color ] White to Off-White
[BRN ] 1105038
[InChI] 1S/C12H30N6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h13-18H,1-12H2
[InChIKey] RVJABZUDCPZPPM-UHFFFAOYSA-N
[SMILES] C1CNCCNCCNCCNCCNCCN1

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319
[Precautionary statements ] P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
[Hazard Codes ] Xi
[Risk Statements ] 36/38
[Safety Statements ] 26-36
[WGK Germany ] 3
[F ] 10-34
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2

Hazard Information	Back Directory
[Uses] Hexacyclen is a nitrogen analog of 18-crown-6. A pharmaceutical intermediate and a urinary calculus solubilizer.

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