The Phenol, 4-[bis(2-iodoethyl)amino]-, with the CAS registry number 172974-00-4, is also known as 4-[Bis-(2-iodo-ethyl)-amino]-phenol. This chemical's molecular formula is C10H13I2NO and molecular weight is 417.03. What's more, its systematic name is called 4-[Bis(2-iodoethyl)amino]phenol.
Physical properties about Phenol, 4-[bis(2-iodoethyl)amino]- are: (1)ACD/LogP: 3.729; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.72; (5)ACD/BCF (pH 5.5): 221.08; (6)ACD/BCF (pH 7.4): 395.57; (7)ACD/KOC (pH 5.5): 1400.12; (8)ACD/KOC (pH 7.4): 2505.13; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 23.47 Å2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 77.653 cm3; (15)Molar Volume: 196.52 cm3; (16)Polarizability: 30.784×10-24cm3; (17)Surface Tension: 62.181 dyne/cm; (18) Density: 2.122 g/cm3; (19)Flash Point: 218.217 °C; (20)Enthalpy of Vaporization: 72.056 kJ/mol; (21)Boiling Point: 437.211 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ICCN(c1ccc(O)cc1)CCI
(2) InChI: InChI=1S/C10H13I2NO/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9/h1-4,14H,5-8H2
(3) InChIKey: UTLFGESYSYRPFN-UHFFFAOYSA-N
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