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Benzenamine,4-ethyl-3-(1-methylethyl)- (1899-06-5)

Identification
Name:Benzenamine,4-ethyl-3-(1-methylethyl)-
Synonyms:Aniline,4-ethyl-3-isopropyl- (7CI);
CAS:1899-06-5
Molecular Formula: C11H17N
Molecular Weight: 163.26
InChI: InChI=1/C11H17N/c1-4-9-5-6-10(12)7-11(9)8(2)3/h5-8H,4,12H2,1-3H3
Molecular Structure: (C11H17N) Aniline,4-ethyl-3-isopropyl- (7CI);
Properties
Density:0.935g/cm3
Refractive index:1.533
Appearance:Kind of white to yellow powder
Specification:

The 4-Ethyl-3-(1-methylethyl)benzenamine, with CAS registry number 1899-06-5, belongs to the following product category: Isopropyl. It has the systematic name of benzenamine, 4-ethyl-3-(1-methylethyl)-. Besides this, it is also called 4-Ethyl-3-isopropylaniline. And the chemical formula of this chemical is C11H17N.

Physical properties of 4-Ethyl-3-(1-methylethyl)benzenamine: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 122.87; (6)ACD/BCF (pH 7.4): 177.85; (7)ACD/KOC (pH 5.5): 979.24; (8)ACD/KOC (pH 7.4): 1417.39; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 54.22 cm3; (15)Molar Volume: 174.6 cm3; (16)Polarizability: 21.49×10-24cm3; (17)Surface Tension: 35 dyne/cm; (18)Enthalpy of Vaporization: 48.68 kJ/mol; (19)Vapour Pressure: 0.0228 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1ccc(cc1C(C)C)N
(2)InChI: InChI=1/C11H17N/c1-4-9-5-6-10(12)7-11(9)8(2)3/h5-8H,4,12H2,1-3H3
(3)InChIKey: OZYYHPHOVKGAKH-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H17N/c1-4-9-5-6-10(12)7-11(9)8(2)3/h5-8H,4,12H2,1-3H3
(5)Std. InChIKey: OZYYHPHOVKGAKH-UHFFFAOYSA-N

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