Chemical Properties of Retronecine (CAS 480-85-3)

Retronecine

InChI
InChI=1S/C8H13NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,7-8,10-11H,2-5H2/t7-,8?/m0/s1
InChI Key
HJSJELVDQOXCHO-JAMMHHFISA-N
Formula
C8H13NO2
SMILES
OCC1=CCN2CCC(O)C12
Molecular Weight1
155.19
CAS
480-85-3
Other Names
  • Relronecine (7R)
  • Retronecine (7R)
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Physical Properties

Property Value Unit Source
logPoct/wat -0.646 Crippen Calculated Property
McVol 119.280 ml/mol McGowan Calculated Property
Inp [1425.00; 1465.00]   Show Hide
Inp 1430.00 NIST
Inp 1425.00 NIST
Inp Outlier 1465.00 NIST
Inp 1428.00 NIST
Inp 1428.00 NIST
Inp 1425.00 NIST
Tfus 392.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-hydroxy-, (1S-cis)-. 9-Senecioylretronecine. 9-tigloylheliotridine. 9-Angeloylretronecine. 9-Senicioylheliotridine. 9-tigloylretronecine. 9-Isosenecioylretronecine. 5,6-Dihydro-7,9-dimethoxy-7H-pyrrolizine. 9-Hydroxyisohexenoylretronecine. 7-tigloylheliotridine. 2-Butenoic acid, 2-methyl-, 2,3,5,7a-tetrahydro-7-(hydroxymethyl)-1H-pyrrolizin-1-yl ester, [1S-[1«alpha»(Z),7a«alpha»]]-. 7-tigloylretronecine. 7-acetylretronecine. [(7R)-7-Hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl hexanoate. 9-Hydroxyheptanoylretronecine.

Find more compounds similar to Retronecine.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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