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72210-18-5

Basic Information
CAS No.: 72210-18-5
Name: 4-(2-Amino-ethoxy)-phenylamine
Article Data: 4
Molecular Structure:
Molecular Structure of 72210-18-5 (4-(2-Amino-ethoxy)-phenylamine)
Formula: C8H12N2O
Molecular Weight: 152.196
Synonyms: Benzenamine, 4-(2-aminoethoxy)-;
Density: 1.119 g/cm3
Boiling Point: 313.3 °C at 760 mmHg
Flash Point: 164.4 °C
PSA: 61.27000
LogP: 1.88780
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Specification

The 4-(2-Amino-ethoxy)-phenylamine, with the CAS registry number 72210-18-5, is also known as Benzenamine, 4-(2-aminoethoxy)-. This chemical's molecular formula is C8H12N2O and molecular weight is 152.1937. What's more, its systematic name is called 4-(2-Aminoethoxy)aniline.

Physical properties about 4-(2-Amino-ethoxy)-phenylamine are: (1)ACD/LogP: -0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.42; (4)ACD/LogD (pH 7.4): -1.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 45.33 cm3; (15)Molar Volume: 135.9 cm3; (16)Surface Tension: 48.4 dyne/cm; (17)Density: 1.119 g/cm3; (18)Flash Point: 164.4 °C; (19)Enthalpy of Vaporization: 55.44 kJ/mol; (20)Boiling Point: 313.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000501 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)N)CCN
(2) InChI: InChI=1/C8H12N2O/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6,9-10H2
(3) InChIKey: BDMVWJHOWDSYFF-UHFFFAOYAV