Chemical Properties of Nornicotine, N-butanoyl (CAS 69730-91-2)

Nornicotine, N-butanoyl

InChI
InChI=1S/C13H18N2O/c1-2-5-13(16)15-9-4-7-12(15)11-6-3-8-14-10-11/h3,6,8,10,12H,2,4-5,7,9H2,1H3
InChI Key
MIRXCTXDBCQAAR-UHFFFAOYSA-N
Formula
C13H18N2O
SMILES
CCCC(=O)N1CCCC1c1cccnc1
Molecular Weight1
218.29
CAS
69730-91-2
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Physical Properties

Property Value Unit Source
ω 0.5462 Relay (1.0) Calculated Property
Δf 181.58 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -118.41 kJ/mol Relay (1.0) Calculated Property
Δvap 84.67 kJ/mol Relay (1.0) Calculated Property
IE 8.81 eV Relay (1.0) Calculated Property
log10WS -0.90 Relay (1.0) Calculated Property
logPoct/wat 2.545 Crippen Calculated Property
McVol 180.940 ml/mol McGowan Calculated Property
Pc 2401.89 kPa Relay (1.0-beta) Calculated Property
Inp 1961.00 NIST
Tboil 600.04 K Relay (1.0) Calculated Property
Tc 843.54 K Relay (1.0) Calculated Property
Tfus 300.91 K Relay (1.0) Calculated Property
Vc 0.648 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nornicotine, N-hexanoyl. Nornicotine, N-octanoyl. Nornicotine, N-acetyl. Cotinine. Nornicotine, N-formyl. trans-3'-Hydroxycotinine, trimethylsilyl ether. 2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3R-trans)-. Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, 1-oxide, (S)-. Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (S)-. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. Sertraline, acetyl. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. xanthosine-5'-monophosphate, TMS. inosine-5'-monophosphate, TMS. Quinine, trimethylsilyl ether.

Find more compounds similar to Nornicotine, N-butanoyl.

Sources

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