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73918-57-7

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Basic Information
CAS No.: 73918-57-7
Name: 2-(4-IODOPHENYL)ETHYLAMINE
Article Data: 4
Molecular Structure:
Molecular Structure of 73918-57-7 (2-(4-IODOPHENYL)ETHYLAMINE)
Formula: C8H10IN
Molecular Weight: 247.079
Synonyms: 2-(4-Iodophenyl)ethylamine;4-Iodophenethylamine;p-Iodophenethylamine;p-Iodophenylethylamine;
Density: 1.669 g/cm3
Boiling Point: 265.8 °C at 760 mmHg
Flash Point: 114.5 °C
PSA: 26.02000
LogP: 2.49270
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Specification

The Benzeneethanamine,4-iodo-, with the CAS registry number 73918-57-7, has the systematic name of 2-(4-iodophenyl)ethanamine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H10IN.

The characteristics of Benzeneethanamine,4-iodo- are as followings: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.02; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 52.24 cm3; (14)Molar Volume: 148 cm3; (15)Polarizability: 20.71×10-24cm3; (16)Surface Tension: 47.4 dyne/cm; (17)Density: 1.669 g/cm3; (18)Flash Point: 114.5 °C; (19)Enthalpy of Vaporization: 50.37 kJ/mol; (20)Boiling Point: 265.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00899 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic1ccc(CCN)cc1
(2)InChI: InChI=1/C8H10IN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
(3)InChIKey: IQFHGSFDGGJWSJ-UHFFFAOYAF