Chemical Properties of 6-Methyl-3-(2-nitroxyethyl)-2H-1,3-benzoxazin-4(3H)-one (CAS 143248-64-0)

6-Methyl-3-(2-nitroxyethyl)-2H-1,3-benzoxazin-4(3H)-one

InChI
InChI=1S/C11H12N2O5/c1-8-2-3-10-9(6-8)11(14)12(7-17-10)4-5-18-13(15)16/h2-3,6H,4-5,7H2,1H3
InChI Key
PRQKFPKMNWUHSR-UHFFFAOYSA-N
Formula
C11H12N2O5
SMILES
Cc1ccc2c(c1)C(=O)N(CCO[N+](=O)[O-])CO2
Molecular Weight1
252.22
CAS
143248-64-0
Other Names
  • 2,3-Dihydro-6-methyl-3-[2-(nitrooxy)ethyl]-4H-1,3-benzoxazin-4-one
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Physical Properties

Property Value Unit Source
ω 0.7413 Relay (1.0) Calculated Property
Δf 16.23 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -323.67 kJ/mol Relay (1.0) Calculated Property
Δvap 97.12 kJ/mol Relay (1.0) Calculated Property
IE 8.64 eV Relay (1.0) Calculated Property
log10WS -3.18 Relay (1.0) Calculated Property
logPoct/wat 0.995 Crippen Calculated Property
McVol 171.940 ml/mol McGowan Calculated Property
Pc 2664.41 kPa Relay (1.0-beta) Calculated Property
Tboil 617.12 K Relay (1.0) Calculated Property
Tc 857.79 K Relay (1.0) Calculated Property
Tfus 359.63 K Relay (1.0) Calculated Property
Vc 0.633 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 27.10 kJ/mol 351.20 NIST

Similar Compounds

11-Dehydroestradiol, TMS. 17A-11-Dehydroestradiol, TMS. Mirtazapine-M (nor-HO-) 2AC. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (HO-) AC. 4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide. Sterigmatocystin, O-tert.-butyldimethylsilyl-. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Naloxone. Mucronatinine. Oxycodone. Axillarine. Gelsemine. Pumiline A. Oxymorphone.

Find more compounds similar to 6-Methyl-3-(2-nitroxyethyl)-2H-1,3-benzoxazin-4(3H)-one.

Sources

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