Chemical Properties of 5-Benzyl-2,5-diaza-cycloheptanone (CAS 55186-89-5)

5-Benzyl-2,5-diaza-cycloheptanone

InChI
InChI=1S/C12H16N2O/c15-12-6-8-14(9-7-13-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,15)
InChI Key
DKNOPZCYIDBMNY-UHFFFAOYSA-N
Formula
C12H16N2O
SMILES
O=C1CCN(Cc2ccccc2)CCN1
Molecular Weight1
204.27
CAS
55186-89-5
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Physical Properties

Property Value Unit Source
ω 0.5207 Relay (1.0) Calculated Property
Δf 179.15 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -63.26 kJ/mol Relay (1.0) Calculated Property
Δvap 97.14 kJ/mol Relay (1.0) Calculated Property
IE 8.88 eV Relay (1.0) Calculated Property
log10WS -0.10 Relay (1.0) Calculated Property
logPoct/wat 1.008 Crippen Calculated Property
McVol 166.850 ml/mol McGowan Calculated Property
Pc 2700.98 kPa Relay (1.0-beta) Calculated Property
Tboil 632.02 K Relay (1.0) Calculated Property
Tc 865.88 K Relay (1.0) Calculated Property
Tfus 357.12 K Relay (1.0) Calculated Property
Vc 0.581 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

N-benzyl-n'-(beta-hydroxyethyl) homopiperazine. Benzylpiperazine-M (desethylene-), 2AC. (3S)-(+)-1-Benzyl-3-aminopyrrolidine. (3R)-(-)-1-Benzyl-3-aminopyrrolidine. Propanamide, N-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-. Ethanediamine, N-(1,3-benzodioxol-5-ylmethyl), N,N'-diacetyl. N-Benzyl butanoyl fentanyl. (-)-Bunolol, PFB-TMS. Tetrabenazine M (bis-desmethyl-), monoacetylated. Tetrabenazine M (bis-desmethyl-HO-), diacetylated. Tetrabenazine. Lysergamide. Lincomycin. Morazone. Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

Find more compounds similar to 5-Benzyl-2,5-diaza-cycloheptanone.

Sources

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