Chemical Properties of 1,5,6-Triazabicyclo[3.1.0]hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl- (CAS 95388-88-8)

1,5,6-Triazabicyclo[3.1.0]hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-

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InChI
InChI=1S/C13H10F9N3/c1-9(8-5-3-2-4-6-8)7-10(11(14,15)16,12(17,18)19)24-23(9)25(24)13(20,21)22/h2-6H,7H2,1H3
InChI Key
PTIRVBOPZPHAQT-UHFFFAOYSA-N
Formula
C13H10F9N3
SMILES
CC1(c2ccccc2)CC(C(F)(F)F)(C(F)(F)F)n2n(C(F)(F)F)n21
Molecular Weight1
379.22
CAS
95388-88-8
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Physical Properties

Property Value Unit Source
IE [9.00; 9.30] eV Show Hide
IE 9.00 eV NIST
IE 9.30 eV NIST
log10WS -5.68 Crippen Calculated Property
logPoct/wat 4.554 Crippen Calculated Property
McVol 194.420 ml/mol McGowan Calculated Property

Similar Compounds

Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Benazepril Me. Hydrastine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. Retroisosenine. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Tinctorine. Noscapine. Sophoramine. Butorphanol di-TMS derivative. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Retroisosensine. 6-Tetrahydrocannabinol, 7-hydroxy, TBDMS.

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Sources

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