Chemical Properties of L-Tryptophan, N-methyl-, methyl ester (CAS 32164-04-8)

InChI

InChI=1S/C13H16N2O2/c1-14-12(13(16)17-2)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8,12,14-15H,7H2,1-2H3

InChI Key

RZRWZNRJBFLXSC-UHFFFAOYSA-N

Formula

C13H16N2O2

SMILES

CNC(Cc1c[nH]c2ccccc12)C(=O)OC

Molecular Weight¹

232.28

CAS

32164-04-8

Other Names

• Tryptophan, N-methyl-, methyl ester, L-
• Indol-3-propanoic acid, «alpha»-(methylamino), methyl ester

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6094		Relay (1.0) Calculated Property
ΔfG°	73.64	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-192.19	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	99.99	kJ/mol	Relay (1.0) Calculated Property
IE	7.76	eV	Relay (1.0) Calculated Property
log10WS	-1.62		Relay (1.0) Calculated Property
logPoct/wat	0.989		Crippen Calculated Property
McVol	182.510	ml/mol	McGowan Calculated Property
Pc	2579.04	kPa	Relay (1.0-beta) Calculated Property
Inp	[1748.00; 1748.00]
Inp	1748.00		NIST
Inp	1748.00		NIST
Tboil	609.91	K	Relay (1.0) Calculated Property
Tc	892.19	K	Relay (1.0) Calculated Property
Tfus	386.60	K	Relay (1.0) Calculated Property
Vc	0.649	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to L-Tryptophan, N-methyl-, methyl ester.

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
• McGowan Method
• NIST Webbook

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