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Name |
trans-2-(p-(1,2-Diphenyl-1-butenyl)phen-oxy)-N,N-dimethylethylamine citrate |
EINECS | N/A |
CAS No. | 76487-65-5 | Density | g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C26H29NO•C6H8O7 | Boiling Point | 482.3°Cat760mmHg |
Molecular Weight | 563.70 | Flash Point | 140°C |
Transport Information | N/A | Appearance | N/A |
Safety | Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
Molecule structure of trans-2-(p-(1,2-Diphenyl-1-butenyl)phen-oxy)-N,N-dimethylethylamine citrate (CAS NO.76487-65-5) :
IUPAC Name: 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular Weight: 563.63808 g/mol
Molecular Formula: C32H37NO8
Density: 1.32 g/cm3
Boiling Point: 541.2 °C at 760 mmHg
Flash Point: 281.1 °C
Index of Refraction: 1.622
Molar Refractivity: 81.25 cm3
Molar Volume: 230.4 cm3
Polarizability: 32.21×10-24 cm3
Surface Tension: 58.4 dyne/cm
Enthalpy of Vaporization: 84.97 kJ/mol
Vapour Pressure: 2.51E-12 mmHg at 25 °C
H-Bond Donor: 4
H-Bond Acceptor: 9
Rotatable Bond Count: 13
Exact Mass: 563.251917
MonoIsotopic Mass: 563.251917
Topological Polar Surface Area: 145
Heavy Atom Count: 41
Complexity: 690
Canonical SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Isomeric SMILES: CC/C(=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.C(C(=O)O)C(CC(=
O)O)(C(=O)O)O
InChI: InChI=1S/C26H29NO.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+;
InChIKey of trans-2-(p-(1,2-Diphenyl-1-butenyl)phen-oxy)-N,N-dimethylethylamine citrate (CAS NO.76487-65-5) : FQZYTYWMLGAPFJ-BTKVJIOYSA-N
Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
trans-2-(p-(1,2-Diphenyl-1-butenyl)phen-oxy)-N,N-dimethylethylamine citrate (CAS NO.76487-65-5) is also called (E)-Tamoxifen citrate ; Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, citrate, (E)- ; trans-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate ; Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (E)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) .