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3169-73-1

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Basic Information
CAS No.: 3169-73-1
Name: 2-[4-(TERT-BUTYL)PHENOXY]ANILINE
Article Data: 4
Molecular Structure:
Molecular Structure of 3169-73-1 (2-[4-(TERT-BUTYL)PHENOXY]ANILINE)
Formula: C16H19NO
Molecular Weight: 241.333
Synonyms: Aniline,o-(p-tert-butylphenoxy)- (7CI,8CI);2-(4-tert-Butylphenoxy)aniline;2-[4-(tert-Butyl)phenoxy]aniline;o-(p-tert-Butylphenoxy)-aniline;
Density: 1.053 g/cm3
Melting Point: 83-84 °C
Boiling Point: 339.4 °C at 760 mmHg
Flash Point: 148.9 °C
Hazard Symbols: IrritantXi
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Specification

The Benzenamine,2-[4-(1,1-dimethylethyl)phenoxy]-, with the CAS registry number 3169-73-1, is also known as o-(p-tert-Butylphenoxy)-aniline. This chemical's molecular formula is C16H19NO and molecular weight is 241.33. What's more, its systematic name is 2-(4-tert-butylphenoxy)aniline.

Physical properties of Benzenamine,2-[4-(1,1-dimethylethyl)phenoxy]- are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 4.15; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 35.25 Å2; (9)Index of Refraction: 1.571; (10)Molar Refractivity: 75.31 cm3; (11)Molar Volume: 228.9 cm3; (12)Polarizability: 29.85×10-24cm3; (13)Surface Tension: 39 dyne/cm; (14)Density: 1.053 g/cm3; (15)Flash Point: 148.9 °C; (16)Enthalpy of Vaporization: 58.28 kJ/mol; (17)Boiling Point: 339.4 °C at 760 mmHg; (18)Vapour Pressure: 9.21E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)c1ccc(cc1)Oc2ccccc2N
(2)InChI: InChI=1S/C16H19NO/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h4-11H,17H2,1-3H3
(3)InChIKey: YGZXSSOPRWYUMO-UHFFFAOYSA-N