Chemical Properties of TCN (CAS 35943-35-2)

TCN

InChI
InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8?,9+,13-/m0/s1
InChI Key
HOGVTUZUJGHKPL-RMXKWMARSA-N
Formula
C13H16N6O4
SMILES
CN1N=C(N)c2cn(C3OC(CO)C(O)C3O)c3ncnc1c23
Molecular Weight1
320.30
CAS
35943-35-2
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Physical Properties

Property Value Unit Source
ω 1.0837 Relay (1.0) Calculated Property
Δf 95.74 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -244.25 kJ/mol Relay (1.0) Calculated Property
Δvap 155.45 kJ/mol Relay (1.0) Calculated Property
IE 7.83 eV Relay (1.0) Calculated Property
log10WS -2.21 Relay (1.0) Calculated Property
logPoct/wat -1.887 Crippen Calculated Property
McVol 212.450 ml/mol McGowan Calculated Property
Pc 2596.44 kPa Relay (1.0-beta) Calculated Property
Inp 1891.00 NIST
Tboil 732.06 K Relay (1.0) Calculated Property
Tc 1215.02 K Relay (1.0) Calculated Property
Tfus 498.56 K Relay (1.0) Calculated Property
Vc 0.827 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Codeine-propionyl. Nalmefene. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Ajmaline. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Strychnine. Normorphine TMS. acetylepibaptifoline. Neopine. Galantamin. Deserpidine. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Dihydroergokryptine. 3-O,6-O,N-Triacetylnormorphine. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl.

Find more compounds similar to TCN.

Sources

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