Chemical Properties of N,N',N"-Trinitro-1,3,5-triazacycloheptane (CAS 5790-78-3)

N,N',N"-Trinitro-1,3,5-triazacycloheptane

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InChI
InChI=1S/C4H8N6O6/c11-8(12)5-1-2-6(9(13)14)4-7(3-5)10(15)16/h1-4H2
InChI Key
PWEBVDKVPUYMMO-UHFFFAOYSA-N
Formula
C4H8N6O6
SMILES
O=[N+]([O-])N1CCN([N+](=O)[O-])CN([N+](=O)[O-])C1
Molecular Weight1
236.14
CAS
5790-78-3
Other Names
  • 1,3,6-Triazacycloheptane 1,3,6-trinitro-
  • 1,3,5-Trinitro-1,3,5-triazacycloheptane
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Physical Properties

Property Value Unit Source
log10WS -1.32 Crippen Calculated Property
logPoct/wat -1.604 Crippen Calculated Property
McVol 138.560 ml/mol McGowan Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 27.74 kJ/mol 435.90 NIST

Similar Compounds

Imidazoline, 1,3-dinitro-. 1,3-Dinitro-1,3-diazacycloheptane. 1,3-Dinitro-1,3-diazacyclohexane. 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-propyl-2,6-dimethyl. 1,1,3,5-Tetranitrohexahydropyrimidine. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-butyl-2,6-dimethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-ethyl-2,6-dimethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5,6-trimethyl. Tetrazepam M (hydroxy-), isomer 2, hydrolysis, acetylated. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,6-dimethyl. 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate (ester). 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cycloheptene. 1«beta»-Acetoxyfuranoeudesm-3-ene. Edulisin III.

Find more compounds similar to N,N',N"-Trinitro-1,3,5-triazacycloheptane.

Sources

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