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31349-78-7

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Basic Information
CAS No.: 31349-78-7
Name: Ethanone, 1-[4-(2-aminoethyl)phenyl]- (9CI)
Molecular Structure:
Molecular Structure of 31349-78-7 (Ethanone, 1-[4-(2-aminoethyl)phenyl]- (9CI))
Formula: C10H13NO
Molecular Weight: 163.219
Synonyms: Acetophenone,4'-(2-aminoethyl)- (8CI);1-(4-(2-Aminoethyl)phenyl)ethanone;
Density: 1.037 g/cm3
Boiling Point: 296.026 °C at 760 mmHg
Flash Point: 132.832 °C
PSA: 43.09000
LogP: 2.09070
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Specification

The Ethanone,1-[4-(2-aminoethyl)phenyl]-, with the CAS registry number 31349-78-7, is also known as Acetophenone,4'-(2-aminoethyl)- (8CI). It belongs to the product category of Acetylgroup. This chemical's molecular formula is C10H13NO and molecular weight is 163.22. What's more, its systematic name is 1-[4-(2-aminoethyl)phenyl]ethanone.

Physical properties of Ethanone,1-[4-(2-aminoethyl)phenyl]- are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 43.09 Å2; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 49.365 cm3; (13)Molar Volume: 157.459 cm3; (14)Polarizability: 19.57×10-24cm3; (15)Surface Tension: 40.855 dyne/cm; (16)Density: 1.037 g/cm3; (17)Flash Point: 132.832 °C; (18)Enthalpy of Vaporization: 53.578 kJ/mol; (19)Boiling Point: 296.026 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCc1ccc(cc1)C(C)=O
(2)InChI: InChI=1S/C10H13NO/c1-8(12)10-4-2-9(3-5-10)6-7-11/h2-5H,6-7,11H2,1H3
(3)InChIKey: GHEAOCPXAWGVSO-UHFFFAOYSA-N