Chemical Properties of Tamoxifen (CAS 10540-29-1)

InChI

InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25+

InChI Key

NKANXQFJJICGDU-OCEACIFDSA-N

Formula

C26H29NO

SMILES

CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1

Molecular Weight¹

371.51

CAS

10540-29-1

Other Names

• Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-
• Ethylamine, N,N-dimethyl-2-(p-(1,2-diphenyl-1-butenyl)phenoxy)-, (Z)-
• cis-1-(p-(2-(N,N-Dimethylamino)ethoxy)phenyl)-1,2-diphenylbut-1-ene
• cis-N,N-Dimethyl-2-(p-(1,2-diphenyl-1-butenyl)phenoxy)ethylamine
• (Z)-2-(p-(1,2-Diphenyl-1-butenyl)-phenoxy)-N,N-dimethylethylamine
• ICI 46,474
• Novadex
• Nolvadex
• (Z)-2-[p-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine
• Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-
• 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine (tamoxifen)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[992.60; 1082.27]	J/mol×K	[918.08; 1157.78]
Cp,gas	992.60	J/mol×K	918.08	Joback Calculated Property
Cp,gas	1010.29	J/mol×K	958.03	Joback Calculated Property
Cp,gas	1026.69	J/mol×K	997.98	Joback Calculated Property
Cp,gas	1041.94	J/mol×K	1037.93	Joback Calculated Property
Cp,gas	1056.19	J/mol×K	1077.88	Joback Calculated Property
Cp,gas	1069.58	J/mol×K	1117.83	Joback Calculated Property
Cp,gas	1082.27	J/mol×K	1157.78	Joback Calculated Property
ΔfusH	34.00	kJ/mol	371.00	NIST

Similar Compounds

Find more compounds similar to Tamoxifen.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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