Chemical Properties of Ketone, 5-amino-4-nitro-2-thienyl isobutyl (CAS 52499-06-6)

Ketone, 5-amino-4-nitro-2-thienyl isobutyl

InChI
InChI=1S/C8H10N2O3S/c1-4(2)7(11)6-3-5(10(12)13)8(9)14-6/h3-4H,9H2,1-2H3
InChI Key
PDZNMUNHHSBCLG-UHFFFAOYSA-N
Formula
C8H10N2O3S
SMILES
CC(C)C(=O)c1cc([N+](=O)[O-])c(N)s1
Molecular Weight1
214.24
CAS
52499-06-6
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Physical Properties

Property Value Unit Source
ω 0.6657 Relay (1.0) Calculated Property
ΔfG° 100.61 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -133.64 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 78.25 kJ/mol Relay (1.0) Calculated Property
IE 8.46 eV Relay (1.0) Calculated Property
log10WS -3.38 Relay (1.0) Calculated Property
logPoct/wat 2.077 Crippen Calculated Property
McVol 149.440 ml/mol McGowan Calculated Property
Pc 2574.61 kPa Relay (1.0-beta) Calculated Property
Tboil 561.44 K Relay (1.0) Calculated Property
Tc 833.40 K Relay (1.0) Calculated Property
Tfus 454.77 K Relay (1.0) Calculated Property
Vc 0.519 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Ketone, 5-acetamido-4-nitro-2-thienyl isobutyl. «delta»1-tetrahydrocannabinolic acid, phenyl-boronate. Eseridine. (2S,3S)-Butane-2,3-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Pinacol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Isoipanguline B1. Ipanguline B1. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Methyldihydromorphine. cyclomegistine. Hydrocodone. Hydromorphone. Mucronatinine.

Find more compounds similar to Ketone, 5-amino-4-nitro-2-thienyl isobutyl.

Sources

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