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4-tert-Butyl-2,6-dimethylaniline

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Name

4-tert-Butyl-2,6-dimethylaniline

EINECS N/A
CAS No. 42014-60-8 Density 0.928 g/cm3
PSA 26.02000 LogP 3.76430
Solubility N/A Melting Point 29-29.5 °C
Formula C12H19N Boiling Point 263.6 °C at 760 mmHg
Molecular Weight 177.29 Flash Point 111.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 42014-60-8 (4-(TERT-BUTYL)-2,6-DIMETHYLANILINE) Hazard Symbols IrritantXi
Synonyms

2,6-Xylidine,4-tert-butyl- (6CI);4-tert-Butyl-2,6-dimethylaniline;

Article Data 12

4-tert-Butyl-2,6-dimethylaniline Specification

The 4-tert-Butyl-2,6-dimethylaniline, with the CAS registry number 42014-60-8, is also called benzenamine, 4-(1,1-dimethylethyl)-2,6-dimethyl-. It belongs to the following product categories: Amines; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. And the molecular formula of the chemical is C12H19N.

The characteristics of 4-tert-Butyl-2,6-dimethylaniline are as followings: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 256.5; (6)ACD/BCF (pH 7.4): 290.58; (7)ACD/KOC (pH 5.5): 1780.04; (8)ACD/KOC (pH 7.4): 2016.5; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 58.52 cm3; (15)Molar Volume: 190.9 cm3; (16)Polarizability: 23.2×10-24cm3; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 0.928 g/cm3; (19)Flash Point: 111.8 °C; (20)Enthalpy of Vaporization: 50.14 kJ/mol; (21)Boiling Point: 263.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0102 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Nc1c(cc(cc1C)C(C)(C)C)C
(2)InChI: InChI=1/C12H19N/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,13H2,1-5H3
(3)InChIKey: CHHGWEBJQVWINZ-UHFFFAOYAK

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