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296-35-5

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296-35-5 Structure

296-35-5 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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 InformationBack Directory
[Uses]

Hexacyclen is a nitrogen analog of 18-crown-6. A pharmaceutical intermediate and a urinary calculus solubilizer.
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