Chemical Properties of Tyramine, N-formyl- (CAS 13062-78-7)

InChI

InChI=1S/C9H11NO2/c11-7-10-6-5-8-1-3-9(12)4-2-8/h1-4,7,12H,5-6H2,(H,10,11)

InChI Key

ZRAJFHFOIYKZPF-UHFFFAOYSA-N

Formula

C9H11NO2

SMILES

OC=NCCc1ccc(O)cc1

Molecular Weight¹

165.19

CAS

13062-78-7

Other Names

• N-Formyltyramine

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-1.05		Relay (1.0) Calculated Property
logPoct/wat	1.521		Crippen Calculated Property
McVol	131.330	ml/mol	McGowan Calculated Property
Inp	[1882.10; 1882.10]
Inp	1882.10		NIST
Inp	1882.10		NIST
Tboil	604.58	K	Relay (1.0) Calculated Property
Tfus	369.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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

Find more compounds similar to Tyramine, N-formyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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