Name: Fenoxazoline
SKU: 4846-91-7

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Basic Information

Molecular Structure:
CAS No.:	4846-91-7
Name:	Fenoxazoline

Formula:	C₁₃H₁₈N₂O
Molecular Weight:	218.299
Synonyms:	2-Imidazoline,2-[(o-cumenyloxy)methyl]- (7CI,8CI);2-[(o-Cumenyloxy)methyl]-2-imidazoline;Fenoxazoline;Nebulicina;Phenoxazoline;
EINECS:	225-437-6
Density:	1.09 g/cm³
Boiling Point:	395 °C at 760 mmHg
Flash Point:	192.7 °C
PSA:	33.62000
LogP:	1.95490

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Specification

The Fenoxazoline is an organic compound with the formula C₁₃H₁₈N₂O. The IUPAC name of this chemical is 2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole. With the CAS registry number 4846-91-7, it is also named as 4,5-Dihydro-2-[[2-(1-methylethyl)phenoxy]methyl]-1H-imidazole.

Physical properties about Fenoxazoline are: (1)ACD/LogP: 3.48; (2)ACD/LogD (pH 5.5): 1.48; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 2.59; (5)ACD/BCF (pH 7.4): 3.5; (6)ACD/KOC (pH 5.5): 18.61; (7)ACD/KOC (pH 7.4): 25.13; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 24.83 Å²; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 64.48 cm³; (14)Molar Volume: 199 cm³; (15)Polarizability: 25.56×10^-24cm³; (16)Surface Tension: 36.8 dyne/cm; (17)Density: 1.09 g/cm³; (18)Flash Point: 192.7 °C; (19)Enthalpy of Vaporization: 61.99 kJ/mol; (20)Boiling Point: 395 °C at 760 mmHg; (21)Vapour Pressure: 4.33E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1c(cccc1)C(C)C)CC/2=N/CCN\2CopyCopied ; (2)InChI: InChI=1/C13H18N2O/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H,14,15)
(3)InChIKey: GFYSWQDCHLWRMQ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H18N2O/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H,14,15)
(5)Std. InChIKey: GFYSWQDCHLWRMQ-UHFFFAOYSA-N