Basic Information | Post buying leads | Suppliers |
Name |
EIPW 111 citrate |
EINECS | N/A |
CAS No. | 21708-94-1 | Density | g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C26H28N2O3•C6H8O7 | Boiling Point | 519.7°Cat760mmHg |
Molecular Weight | 608.70 | Flash Point | 268.1°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 EIPW 111 citrate (CAS NO.21708-94-1):
IUPAC Name: N,N-Diethyl-2-[4-[(Z)-2-nitro-1,2-diphenylethenyl]phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular Weight: 608.63564 g/mol
Molecular Formula: C32H36N2O10
Boiling Point: 519.7 °C at 760 mmHg
Flash Point: 268.1 °C
Enthalpy of Vaporization: 79.26 kJ/mol
Vapour Pressure: 6.64E-11 mmHg at 25 °C
H-Bond Donor: 4
H-Bond Acceptor: 11
Rotatable Bond Count: 14
Exact Mass: 608.236995
MonoIsotopic Mass: 608.236995
Topological Polar Surface Area: 188
Heavy Atom Count: 44
Complexity: 789
Canonical SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Isomeric SMILES: CCN(CC)CCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\[N+](=O)[O-])/C3=CC=CC=C3.C(C
(=O)O)C(CC(=O)O)(C(=O)O)O
InChI: InChI=1S/C26H28N2O3.C6H8O7/c1-3-27(4-2)19-20-31-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(28(29)30)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;
InChIKey of EIPW 111 citrate (CAS NO.21708-94-1): NDLVVIVMUWEGGQ-OQKDUQJOSA-N
Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
EIPW 111 citrate (CAS NO.21708-94-1) is also called 1-(p-(beta-Diethylaminoethoxy)-phenyl)-2-nitro-1,2-diphenyl
ethylene citrate ; 1-(p-(beta-Diethylaminoethoxy)phenyl)-2-nitro-1,2-diphenyl ethylene ; 1-(p-(beta-Diethylaminoethoxy)phenyl)-2-nitro-1,2-diphenylethylene citrate ; 2-(p-(2-Nitro-1,2-diphenylvinyl)phenoxy)triethylamine citrate ; Ethanamine, N,N-diethyl-2-(4-(2-nitro-1,2-diphenylethenyl)phenoxy)-, citrate .