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

Tamoxifen

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
  • (Z)-2-(p-(1,2-Diphenyl-1-butenyl)-phenoxy)-N,N-dimethylethylamine
  • (Z)-2-[p-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine
  • 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine (tamoxifen)
  • Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-
  • Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-
  • Ethylamine, N,N-dimethyl-2-(p-(1,2-diphenyl-1-butenyl)phenoxy)-, (Z)-
  • ICI 46,474
  • Nolvadex
  • Novadex
  • 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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 46.62 kJ/mol Joback Calculated Property
logPoct/wat 5.996 Crippen Calculated Property
McVol 317.470 ml/mol McGowan Calculated Property
Tboil 720.58 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [992.60; 1082.27] J/mol×K [918.08; 1157.78] Show Hide
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

Maprotiline M(Nor-HO), diacetylated. DILTIAZEM, M(O-DESMETHYL-DESAMINO-HO-), AC. DILTIAZEM, M(DESAMINO-HO-), AC. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TPS. (E)-Methyl 2-((1'R,6'R,7'S,8a'S)-6'-ethyl-2-oxo-3',5',6',7',8',8a'-hexahydro-2'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate. SCHEMBL9488362. 2-Piperidinomethyl-8(ar)-methoxy-tetrahydro-1-acenaphthone. Isooctylhydrocupreine. Protriptyline M(HO), acetylated. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Dimetindene M (nor, OH), acetylated. Maprotiline M(di-HO), diacetylated. Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (8«alpha»,9R)-. Dimetindene M (nor), acetylated. Hydroquinidine.

Find more compounds similar to Tamoxifen.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.