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Basic Information
CAS No.: 168551-56-2
Name: 3-(1,3-DIOXAN-2-YL)ANILINE
Molecular Structure:
Molecular Structure of 168551-56-2 (3-(1,3-DIOXAN-2-YL)ANILINE)
Formula: C10H13NO2
Molecular Weight: 179.22
Synonyms: Aniline,m-2-m-dioxanyl- (5CI);3-(1,3-Dioxan-2-yl)aniline;
Density: 1.156 g/cm3
Melting Point: 75 °C
Boiling Point: 332.5 °C at 760 mmHg
Flash Point: 169.6 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 44.48000
LogP: 2.28550
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Specification

The Benzenamine,3-(1,3-dioxan-2-yl)- is an organic compound with the formula C10H13NO2. The systematic name of this chemical is 3-(1,3-Dioxan-2-yl)aniline. With the CAS registry number 168551-56-2, it is also named as 3-[1,3]Dioxan-2-yl-phenylamine. The product's categories are Phenyl; Amines; Phenyls and Phenyl-Het. Besides, its molecular weight is 179.22.

Physical properties about Benzenamine,3-(1,3-dioxan-2-yl)- are: (1)ACD/LogP: 0.63; (2)ACD/LogD (pH 5.5): 0.59; (3)ACD/LogD (pH 7.4): 0.63; (4)ACD/BCF (pH 5.5): 1.63; (5)ACD/BCF (pH 7.4): 1.76; (6)ACD/KOC (pH 5.5): 48.3; (7)ACD/KOC (pH 7.4): 52.18; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 21.7 Å2; (12)Index of Refraction: 1.562; (13)Molar Refractivity: 50.33 cm3; (14)Molar Volume: 155 cm3; (15)Polarizability: 19.95×10-24 cm3; (16)Surface Tension: 48.2 dyne/cm; (17)Density: 1.156 g/cm3; (18)Flash Point: 169.6 °C; (19)Enthalpy of Vaporization: 57.52 kJ/mol; (20)Boiling Point: 332.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000146 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H13NO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6,11H2
(2)InChIKey: LOIMKZYNBRCYDN-UHFFFAOYAS
(3)Std. InChI: InChI=1S/C10H13NO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6,11H2
(4)Std. InChIKey: LOIMKZYNBRCYDN-UHFFFAOYSA-N